Crystallography Open Database

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5000285 CIFC10 H15 Br2 Cl3P 21 21 216.115; 12.456; 19.188
90; 90; 90
1461.52Fuller, Richard W.; Cardellina, John H.; Kato, Yoko; Brinen, Linda S.; Clardy, Jon; Snader, Kenneth M.; Boyd, Michael R.
A pentahalogenated monoterpene from the red alga Portieria hornemannii produces a novel cytotoxicity profile against a diverse panel of human tumor cell lines
Journal of Medicinal Chemistry, 1992, 35, 3007-3011
5000128 CIFC17 H19 Cl F3 N OP c a b10.457; 10.387; 32.345
90; 90; 90
3513.21Robertson, David W.; Jones, Noel D.; Swartzendruber, John K.; Yang, Kuo S.; Wong, David T.
Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor
Journal of Medicinal Chemistry, 1988, 31, 185-189
1566736 CIFC15 H14 O3P 21 21 215.5437; 8.4551; 52.42
90; 90; 90
2457.06Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max
Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor.
Journal of medicinal chemistry, 2022, 65, 4832-4853
1566550 CIFC12 H16 N2 O2P -17.7366; 7.9072; 10.7395
99.872; 102.594; 113.64
562.21Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566549 CIFC26 H23 Br N6 OP -112.22; 12.7328; 16.424
76.485; 82.598; 67.698
2296.6Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566548 CIFC33 H39 Cl Cu N8 O3C 1 2/c 137.667; 10.5159; 19.22
90; 118.948; 90
6661.9Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566547 CIFC60 H63 Br2 Cl N14 Ni O4P -19.7632; 15.6735; 19.622
87.172; 75.925; 85.319
2901.4Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566546 CIFC32 H39 Cl3 Cu N8 O3P 17.2313; 9.2604; 14.1201
78.16; 77.214; 70.423
859.9Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566545 CIFC28 H28 Cl Cu N6 O1.5P 1 21/c 115.0147; 34.2629; 10.2999
90; 107.565; 90
5051.7Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566544 CIFC28 H28 Br Cl Cu N6 O2P 1 21/c 116.1127; 8.9758; 19.2463
90; 103.825; 90
2702.85Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.
Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.
Journal of medicinal chemistry, 2022, 65, 2238-2261
1566281 CIFC43 H62 F6 N4 O5.5 PP -113.1015; 13.9905; 14.3129
103.697; 99.4485; 117.548
2142.83Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P.
Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging.
Journal of medicinal chemistry, 2022, 65, 811-823
1565895 CIFC15 H20 O4P 21 21 218.2975; 12.0102; 13.9497
90; 90; 90
1390.15Liu, Xingchen; Wang, Cheng; Li, Shang; Qu, Lailiang; Yin, Fucheng; Lu, Dehua; Luo, Heng; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Wang, Xiaobing; Kong, Lingyi
Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer.
Journal of medicinal chemistry, 2021, 64, 17304-17325
1565894 CIFC20 H19 N O3P 1 21/c 117.0295; 10.2484; 9.8976
90; 103.468; 90
1679.88Singh, Neelu; Gupta, Ajay; Prasad, Puja; Sah, Raj Kumar; Singh, Arvind; Kumar, Sunil; Singh, Shailja; Gupta, Shalini; Sasmal, Pijus K.
Mitochondria-Targeted Photoactivatable Real-Time Monitoring of a Controlled Drug Delivery Platform.
Journal of medicinal chemistry, 2021, 64, 17813-17823
1564803 CIFC23 H31 Cl O4P 1 21 17.1951; 40.1443; 15.3671
90; 96.963; 90
4405.9Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564802 CIFC23 H29 Cl O5P 16.1316; 11.209; 16.0507
90.884; 100.853; 93.813
1080.58Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564801 CIFC23 H29 Cl O5P 1 21 124.8351; 7.171; 25.5947
90; 93.822; 90
4548.1Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564800 CIFC23 H31 Cl O5P 115.1437; 17.4925; 19.3925
105.337; 92.858; 113.621
4467.9Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564799 CIFC23 H33 Cl O5P 32 2 111.4588; 11.4588; 28.4455
90; 90; 120
3234.61Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564798 CIFC23 H31 Cl O4P 1 21 16.7959; 36.5395; 8.7513
90; 98.87; 90
2147.12Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564797 CIFC23 H32 O4P 1 21 17.6632; 12.1003; 21.8916
90; 94.348; 90
2024.1Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564530 CIFC40 H59 N O5P 43 21 223.7717; 23.7717; 14.8492
90; 90; 90
8391.2Yun, Ying; Zhang, Chenlu; Guo, Shimeng; Liang, Xiaoying; Lan, Yuan; Wang, Min; Zhuo, Ning; Yin, Jianpeng; Liu, Huanan; Gu, Min; Li, Jing; Xie, Xin; Nan, Fajun
Identification of Betulinic Acid Derivatives as Potent TGR5 Agonists with Antidiabetic Effects via Humanized TGR5<sup>H88Y</sup> Mutant Mice.
Journal of medicinal chemistry, 2021, 64, 12181-12199
1562966 CIFC21 H21 Cl2 N3 O4P 1 21 112.9023; 12.742; 18.9596
90; 103.842; 90
3026.5Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao
Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase
Journal of Medicinal Chemistry, 2021
1562965 CIFC20.33333 H16.33333 Cl3 F3 N3 O2P 1 21/c 121.8663; 13.134; 23.2675
90; 94.217; 90
6664.1Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao
Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP–AMP Synthase
Journal of Medicinal Chemistry, 2021
1562964 CIFC20 H17 Cl2 N3 O3P 1 21/n 110.138; 14.487; 25.836
90; 96.065; 90
3773Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao
Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase
Journal of Medicinal Chemistry, 2021
1562963 CIFC24 H22 Cl5 N3 O3P -19.9578; 11.0634; 12.0224
82.132; 78.467; 81.112
1274.4Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao
Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase
Journal of Medicinal Chemistry, 2021
1562962 CIFC21 H17 Cl2 N3 O2C 1 2/c 119.6265; 12.6274; 17.4555
90; 120.196; 90
3739Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao
Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase
Journal of Medicinal Chemistry, 2021
1562742 CIFC68 H100 F4 N6 O21 S4C 1 2 132.412; 6.476; 23.549
90; 132.313; 90
3655Zhang, Dongfeng; Li, Peng; Gao, Yongxin; Song, Yaoyao; Zhu, Yaqin; Su, Hong; Yang, Beibei; Li, Li; Li, Gang; Gong, Ningbo; Lu, Yang; Shao, Huanjie; Yu, Chunrong; Huang, Haihong
Discovery of a Candidate Containing an (S)-3,3-Difluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden Scaffold as a Highly Potent Pan-Inhibitor of the BCR-ABL Kinase Including the T315I-Resistant Mutant for the Treatment of Chronic Myeloid Leukemia
Journal of Medicinal Chemistry, 2021
1561878 CIFC26 H22 Br3 Cu3 N8 S4C 1 2/c 110.7395; 16.0006; 18.9882
90; 96.286; 90
3243.3Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin
Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer.
Journal of medicinal chemistry, 2021
1561877 CIFC26 H22 Cu2 N10 O6 S4P -17.9731; 9.8264; 10.9176
76.501; 85.908; 73.399
797.05Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin
Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer.
Journal of medicinal chemistry, 2021
1561876 CIFC13 H11 Cl Cu N4 S2P -18.6462; 9.7989; 10.1011
68.887; 71.065; 82.137
755Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin
Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer.
Journal of medicinal chemistry, 2021
1561377 CIFC23 H28 F N5 O2P -19.8391; 11.1859; 11.8823
72.632; 89.776; 64.843
1118.23Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim
Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
Journal of medicinal chemistry, 2021
1561376 CIFC23 H27 F2 N5 O2C 1 2 136.459; 8.6753; 13.8617
90; 98.333; 90
4338.1Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim
Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor.
Journal of medicinal chemistry, 2021
1560801 CIFC32 H30 N8 O S2 ZnP 1 21/c 110.3073; 29.5898; 9.8383
90; 90.5116; 90
3000.5Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R.
Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53.
Journal of medicinal chemistry, 2021, 64, 2024-2045
1560800 CIFC23 H28.5 Cl1.5 N8 O0.25 S2 ZnC 1 2/c 114.257; 11.4474; 17.156
90; 108.496; 90
2655.3Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R.
Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53.
Journal of medicinal chemistry, 2021, 64, 2024-2045
1559416 CIFC13 H18 O2P 1 21/c 114.465; 7.815; 10.435
90; 99.66; 90
1162.9Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens
Sila-Ibuprofen.
Journal of medicinal chemistry, 2020
1559415 CIFC12 H18 O2 SiP 1 21/c 114.814; 7.972; 10.798
90; 100.7; 90
1253Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens
Sila-Ibuprofen.
Journal of medicinal chemistry, 2020
1559414 CIFC37 H29 N5 O5P 21 21 219.05425; 14.2458; 22.2227
90; 90; 90
2866.4Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
Journal of Medicinal Chemistry, 2020
1559413 CIFC29 H28 N4 O6P 1 21 115.4258; 8.2007; 20.1539
90; 98.481; 90
2521.64Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
Journal of Medicinal Chemistry, 2020
1559412 CIFC31 H28 N4 O5R 3 :H24.2245; 24.2245; 12.4413
90; 90; 120
6322.8Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
Journal of Medicinal Chemistry, 2020
1559411 CIFC32 H26 N4 O5.5P -110.6126; 11.4102; 13.3071
95.819; 112.387; 111.273
1333.67Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
Journal of Medicinal Chemistry, 2020
1559410 CIFC28 H27 N3 O7P 21 21 217.22366; 16.5577; 20.6478
90; 90; 90
2469.63Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe
Identification, Structure‒Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy
Journal of Medicinal Chemistry, 2020
1559109 CIFC30 H38 O9P 21 21 217.402; 13.4298; 26.9766
90; 90; 90
2681.67Wang, Cheng; Li, Shang; Zhao, Jinhua; Yang, Huali; Yin, Fucheng; Ding, Ming; Luo, Jianguang; Wang, Xiao-Bing; Kong, Ling-Yi
Design and SAR of withangulatin A analogs that act as covalent TrxR inhibitors through Michael addition reaction showing potential in cancer treatment.
Journal of medicinal chemistry, 2020
1558935 CIFC18 H19 N3 O3P 1 21/n 113.4672; 5.79643; 20.7574
90; 97.299; 90
1607.23Seal, Jonathan T.; Atkinson, Stephen J.; Aylott, Helen; Bamborough, Paul; Chung, Chun-Wa; Copley, Royston C. B.; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Lindon, Matthew; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren; Preston, Alex; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H.
The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor.
Journal of medicinal chemistry, 2020
1558788 CIFC17.75 H23 F N3 O4.75 SP 1 21 112.14978; 26.7382; 23.8054
90; 94.0929; 90
7713.78Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu
The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis.
Journal of medicinal chemistry, 2020
1558720 CIFC22 H26 N2 O3P c c n21.4182; 22.3478; 9.3093
90; 90; 90
4455.89Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas
Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.
Journal of medicinal chemistry, 2020
1558719 CIFC19 H16 F6 N2 O3P 1 21/n 19.449; 19.372; 21.3178
90; 97.644; 90
3867.5Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas
Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting.
Journal of medicinal chemistry, 2020
1558317 CIFC20 H20 F8 N4 O5 SP 1 21 16.12766; 20.247; 10.0261
90; 94.623; 90
1239.86Zhang, Chen; Ye, Fei; Wang, Jianmin; He, Ping; Lei, Ming; Huang, Longbin; Huang, Anbang; Tang, Pingming; Lin, Hongjun; Liao, Yuting; Liang, Yong; Ni, Jia; Yan, Pangke
Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes.
Journal of medicinal chemistry, 2020
1558132 CIFC20 H24 Cl N O4P 1 21/n 122.7581; 7.6989; 23.0256
90; 113.649; 90
3695.56Xu, Beibei; Jiang, Xunjin; Xiong, Jing; Lan, Jun; Tian, Yuan; Zhong, Linhai; Wang, Xinquan; Xu, Ning; Cao, Hanwei; Zhang, Wenqing; Zhang, Hao; Hong, Xiaoting; Zhan, Yan-Yan; Zhang, Yandong; Hu, Tianhui
Structure-Activity Relationship Study Enables the Discovery of a Novel Berberine Analogue as RXRα Activator to Inhibit Colon Cancer.
Journal of medicinal chemistry, 2020
1557720 CIFC26 H26 F6 Ir N2 PP 1 21/c 115.2558; 10.7013; 15.9682
90; 110.221; 90
2446.2Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.
Journal of medicinal chemistry, 2020
1557719 CIFC27 H25 Cl3 F8 Ir N2 PP -18.8857; 11.9211; 14.3535
84.168; 86.455; 75.92
1466.03Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.
Journal of medicinal chemistry, 2020
1557718 CIFC28 H26 F6 Ir N2 PP 1 21/c 115.8944; 10.8142; 15.7843
90; 111.606; 90
2522.46Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.
Journal of medicinal chemistry, 2020
1557717 CIFC27.75 H28.75 Cl2.25 F6 Ir N2 PP -18.8214; 12.811; 13.5282
81.1829; 82.9683; 87.8789
1499.15Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.
Journal of medicinal chemistry, 2020
1557716 CIFC30 H27 Cl F6 Ir N2 PC 1 2/c 129.0834; 11.8532; 17.8688
90; 115.95; 90
5538.9Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M.
Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents.
Journal of medicinal chemistry, 2020
1557314 CIFC33 H40 O4P 21 21 219.4737; 15.6173; 18.4421
90; 90; 90
2728.58Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang
Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.
Journal of medicinal chemistry, 2020
1557313 CIFC30 H44 O5P 21 21 2110.5518; 16.1297; 17.0893
90; 90; 90
2908.55Ye, Yan-Song; Li, Wen-Yan; Du, Shu-Zong; Yang, Jian; Nian, Yin; Xu, Gang
Congenetic hybrids derived from dearomatized isoprenylated acylphloroglucinol with opposite effects on Ca<sub>v</sub>3.1 low voltage-gated Ca<sup>2+</sup> channel.
Journal of medicinal chemistry, 2020
1557186 CIFC15 H14 N4 O2P 21 21 215.8178; 16.9835; 28.2863
90; 90; 90
2794.9Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing
Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.
Journal of medicinal chemistry, 2020
1557185 CIFC25 H23 F4 N5 O5P 110.1492; 10.1392; 25.2626
96.515; 96.515; 107.35
2435.42Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing
Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.
Journal of medicinal chemistry, 2020
1557184 CIFC13 H15 N3 O5P 21 21 218.4194; 8.5433; 19.1641
90; 90; 90
1378.46Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing
Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.
Journal of medicinal chemistry, 2020
1557183 CIFC26 H28 N4 O5P 4111.7728; 11.7728; 17.1159
90; 90; 90
2372.2Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing
Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors.
Journal of medicinal chemistry, 2020
1553279 CIFC9 H7 Cl N4P 1 21/n 18.2465; 6.6263; 16.392
90; 97.969; 90
887.07Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal
Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides.
Journal of medicinal chemistry, 2018, 61, 9347-9359
1553278 CIFC9 H7 Cl N6P 21 21 215.436; 9.003; 21.664
90; 90; 90
1060.2Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal
Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides.
Journal of medicinal chemistry, 2018, 61, 9347-9359
1553277 CIFC19 H24 Cl Cu N5 O2 SP 1 21/c 116.5043; 17.7857; 7.1311
90; 96.241; 90
2080.9Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553276 CIFC49.75 H73 Cl3 Cu3 N15 O7.75 S3P 1 21/n 122.2413; 8.3324; 31.9121
90; 90.5654; 90
5913.8Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553275 CIFC13 H19 N5 O SP 1 21/c 122.7776; 6.8585; 9.88
90; 98.889; 90
1524.92Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553274 CIFC14 H21 N5 O SP 1 21/c 16.1236; 7.95; 30.956
90; 92.419; 90
1505.68Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553273 CIFC48.75 H69 Cl3 Cu3 N15 O3.75 S3P 1 21/n 124.702; 9.1959; 25.064
90; 100.971; 90
5589.4Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553272 CIFC18 H21 N5 O SP 1 21/n 17.1287; 15.0536; 16.4704
90; 97.81; 90
1751.09Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553271 CIFC12 H17 N5 O SP 1 21/c 111.544; 13.204; 10.086
90; 112.081; 90
1424.6Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553270 CIFC16 H23 N5 O2 SP 1 21/c 113.3622; 5.8899; 21.414
90; 91.631; 90
1684.6Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553269 CIFC13 H18 Cl Cu N5 O SC 1 2/c 115.7566; 14.2967; 14.2703
90; 92.971; 90
3210.3Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553268 CIFC15 H23 Cl Cu N6 O2 SP 1 21/c 19.3959; 19.8889; 10.9744
90; 108.366; 90
1946.37Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553267 CIFC12 H22 Cl Cu N5 O4 SP -19.2626; 9.5087; 11.0617
89.565; 76.519; 67.742
873.29Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B.
New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action.
Journal of medicinal chemistry, 2019, 62, 512-530
1553266 CIFC26 H24 N2 O2P 1 21/c 110.2122; 16.083; 12.5447
90; 104.737; 90
1992.6Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie
Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo.
Journal of medicinal chemistry, 2018, 61, 10488-10501
1553265 CIFC12 H11.556 N0.889 O0.889P 1 21/c 112.27; 21.5852; 8.2015
90; 99.774; 90
2140.64Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie
Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo.
Journal of medicinal chemistry, 2018, 61, 10488-10501
1553264 CIFC26 H23 N3 O3P -17.738; 10.534; 14.044
70.163; 86.367; 81.901
1065.9Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie
Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo.
Journal of medicinal chemistry, 2018, 61, 10488-10501
1553263 CIFC18.75 H26 Cl Ir N5 O0.75P b c a11.78544; 14.43434; 23.04719
90; 90; 90
3920.67Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.
Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.
Journal of medicinal chemistry, 2018, 61, 7330-7344
1553262 CIFC29.2 H31.8 Cl Ir N5 O0.2P -19.804; 15.8991; 18.4457
82.7271; 86.7456; 72.239
2715.65Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.
Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.
Journal of medicinal chemistry, 2018, 61, 7330-7344
1553261 CIFC27 H32 N2 O4P 1 21/c 19.41991; 10.1144; 23.7285
90; 91.6653; 90
2259.82Zhang, Xiao-Ru; Wang, Hao-Wen; Tang, Wen-Lin; Zhang, Yu; Yang, Hui; Hu, De-Xuan; Ravji, Azhar; Marchand, Christophe; Kiselev, Evgeny; Ofori-Atta, Kwabena; Agama, Keli; Pommier, Yves; An, Lin-Kun
Discovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents.
Journal of medicinal chemistry, 2018, 61, 9908-9930
1553260 CIFC21 H25 F2 N3 O2P 21 21 217.5165; 8.0959; 24.661
90; 90; 90
1500.7Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa
Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.
Journal of medicinal chemistry, 2018, 61, 5664-5678
1553259 CIFC16 H20 O5P 1 21 17.7904; 11.4929; 16.2869
90; 103.739; 90
1416.5Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa
Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.
Journal of medicinal chemistry, 2018, 61, 5664-5678
1553258 CIFC16 H20 O5P 43 21 28.0784; 8.0784; 45.237
90; 90; 90
2952.2Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa
Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.
Journal of medicinal chemistry, 2018, 61, 5664-5678
1553257 CIFC H OP 21 21 216.9288; 7.9172; 52.844
90; 90; 90
2898.8Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa
Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite.
Journal of medicinal chemistry, 2018, 61, 5664-5678
1553256 CIFC26 H20 F N5 O2P -17.7758; 10.3458; 14.6505
71.053; 75.006; 80.624
1072.75Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng
Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor.
Journal of medicinal chemistry, 2018, 61, 6110-6120
1553255 CIFC12 H11 N O3P 21 21 216.917; 8.4769; 18.1729
90; 90; 90
1065.56Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao
Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.
Journal of medicinal chemistry, 2018, 61, 4608-4627
1553254 CIFC27 H28 Br N5 O3P 1 21 113.774; 18.775; 10.658
90; 110.084; 90
2588.6Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao
Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors.
Journal of medicinal chemistry, 2018, 61, 4608-4627
1553253 CIFC19 H23 Cl F N O4 SP 1 21/c 122.01; 9.223; 9.454
90; 100.101; 90
1889.4Focken, Thilo; Chowdhury, Sultan; Zenova, Alla; Grimwood, Michael E.; Chabot, Christine; Sheng, Tao; Hemeon, Ivan; Decker, Shannon M.; Wilson, Michael; Bichler, Paul; Jia, Qi; Sun, Shaoyi; Young, Clint; Lin, Sophia; Goodchild, Samuel J.; Shuart, Noah G.; Chang, Elaine; Xie, Zhiwei; Li, Bowen; Khakh, Kuldip; Bankar, Girish; Waldbrook, Matthew; Kwan, Rainbow; Nelkenbrecher, Karen; Karimi Tari, Parisa; Chahal, Navjot; Sojo, Luis; Robinette, C. Lee; White, Andrew D.; Chen, Chien-An; Zhang, Yi; Pang, Jodie; Chang, Jae H.; Hackos, David H.; Johnson, Jr, J P; Cohen, Charles J.; Ortwine, Daniel F.; Sutherlin, Daniel P.; Dehnhardt, Christoph M.; Safina, Brian S.
Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa<sub>V</sub>1.7 Inhibitors for the Treatment of Pain.
Journal of medicinal chemistry, 2018, 61, 4810-4831
1553252 CIFC41 H63 N7 O9P 21 21 2113.1244; 13.601; 48.964
90; 90; 90
8740.3Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.
Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.
Journal of medicinal chemistry, 2016, 59, 5368-5376
1553251 CIFC41.5 H70 N7 O13P 21 21 2113.571; 17.6203; 21.2057
90; 90; 90
5070.8Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.
Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.
Journal of medicinal chemistry, 2016, 59, 5368-5376
1553250 CIFC23 H31 F N3 O10 PC 1 2 130.024; 7.0591; 13.29
90; 101.32; 90
2761.9Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao
Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma.
Journal of medicinal chemistry, 2016, 59, 3661-3670
1553249 CIFC21 H24 O5P 21 21 214.9653; 10.6228; 34.2129
90; 90; 90
1804.57Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun
Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.
Journal of medicinal chemistry, 2015, 58, 2538-2546
1552566 CIFC17 H17 Cl F3 N5 SP -16.853; 9.4417; 14.5253
95.002; 90.639; 104.895
904.26Ogasawara, Daisuke; Ichu, Taka-Aki; Jing, Hui; Hulce, Jonathan J.; Reed, Alex; Ulanovskaya, Olesya A.; Cravatt, Benjamin F.
Discovery and Optimization of Selective and in Vivo Active Inhibitors of the Lysophosphatidylserine Lipase α/β-Hydrolase Domain-Containing 12 (ABHD12).
Journal of medicinal chemistry, 2019, 62, 1643-1656
1552565 CIFC24 H26 N2 O4P 1 21 111.4081; 16.2769; 12.6451
90; 116.589; 90
2099.7Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.
Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.
Journal of medicinal chemistry, 2019, 62, 4500-4525
1552564 CIFC24 H26 N2 O5P 21 21 215.3744; 13.834; 28.1059
90; 90; 90
2089.7Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.
Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.
Journal of medicinal chemistry, 2019, 62, 4500-4525
1552563 CIFC36 H22 F6 Ir N6 P S2P -113.4535; 16.0914; 19.2715
111.899; 93.037; 111.657
3508.7Cao, Jian-Jun; Zheng, Yue; Wu, Xiao-Wen; Tan, Cai-Ping; Chen, Mu-He; Wu, Na; Ji, Liang-Nian; Mao, Zong-Wan
Anticancer Cyclometalated Iridium(III) Complexes with Planar Ligands: Mitochondrial DNA Damage and Metabolism Disturbance.
Journal of medicinal chemistry, 2019, 62, 3311-3322
1552562 CIFC10 H12 F2 N2 O5P 21 21 215.8735; 13.5166; 14.1374
90; 90; 90
1122.36Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin
Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.
Journal of medicinal chemistry, 2019, 62, 6346-6362
1552561 CIFC11 H16 F2 N5 O4.5P 1 21 110.20373; 6.97368; 18.69692
90; 96.8278; 90
1320.99Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin
Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.
Journal of medicinal chemistry, 2019, 62, 6346-6362
1552560 CIFC10 H13 F N2 O5P 32 2 16.6465; 6.6465; 43.3632
90; 90; 120
1658.97Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin
Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues.
Journal of medicinal chemistry, 2019, 62, 6346-6362
1552559 CIFC19 H12 Br N O4P b c a7.513; 13.49; 32.45
90; 90; 90
3289Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh
Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant.
Journal of medicinal chemistry, 2019, 62, 6315-6329
1552558 CIFC27 H29 N5 O3P 18.6537; 8.8678; 16.7811
77.756; 82.545; 68.655
1170.2Guo, Yunhang; Liu, Ye; Hu, Nan; Yu, Desheng; Zhou, Changyou; Shi, Gongyin; Zhang, Bo; Wei, Min; Liu, Junhua; Luo, Lusong; Tang, Zhiyu; Song, Huipeng; Guo, Yin; Liu, Xuesong; Su, Dan; Zhang, Shuo; Song, Xiaomin; Zhou, Xing; Hong, Yuan; Chen, Shuaishuai; Cheng, Zhenzhen; Young, Steve; Wei, Qiang; Wang, Haisheng; Wang, Qiuwen; Lv, Lei; Wang, Fan; Xu, Haipeng; Sun, Hanzi; Xing, Haimei; Li, Na; Zhang, Wei; Wang, Zhongbo; Liu, Guodong; Sun, Zhijian; Zhou, Dongping; Li, Wei; Liu, Libin; Wang, Lai; Wang, Zhiwei
Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
Journal of medicinal chemistry, 2019, 62, 7923-7940
1552491 CIFC14 H22 O5P 21 21 215.7488; 9.3963; 27.2172
90; 90; 90
1470.2Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.
High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).
Journal of medicinal chemistry, 2019
1552490 CIFC13 H18 O4P 1 21 15.7618; 19.4824; 11.8204
90; 90.0232; 90
1326.88Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.
High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).
Journal of medicinal chemistry, 2019
1552489 CIFC26 H30 F3 N7 O9P 15.0591; 10.9615; 13.2
103.037; 90.846; 90.3108
713.03Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D.
High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT).
Journal of medicinal chemistry, 2019
1552488 CIFC13 H15 N3 O5 SP 1 21/c 112.3726; 11.22; 10.9487
90; 99.0665; 90
1500.92Shao, Xuwei; AbdelKhalek, Ahmed; Abutaleb, Nader S.; Velagapudi, Uday Kiran; Yoganathan, Sabesan; Seleem, Mohamed N.; Talele, Tanaji T.
Chemical Space Exploration around Thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one Scaffold Led to a Novel Class of Highly Active <i>Clostridium difficile</i> Inhibitors.
Journal of medicinal chemistry, 2019
1552487 CIFC21 H23 F3 N4 O2 S2P 1 21/n 117.147; 12.1241; 21.6325
90; 97.3465; 90
4460.3Focken, Thilo; Burford, Kristen; Grimwood, Michael E.; Zenova, Alla; Andrez, Jean-Christophe; Gong, Wei; Wilson, Michael; Taron, Matt; Decker, Shannon; Lofstrand, Verner; Chowdhury, Sultan; Shuart, Noah; Lin, Sophia; Goodchild, Samuel J.; Young, Clint; Soriano, Maegan; Tari, Parisa K.; Waldbrook, Matthew; Nelkenbrecher, Karen; Kwan, Rainbow; Lindgren, Andrea; de Boer, Gina; Lee, Stephanie; Sojo, Luis; DeVita, Robert J.; Cohen, Charles J.; Wesolowski, Steven S.; Johnson, Jr, J P; Dehnhardt, Christoph M.; Empfield, James R.
Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective Na<sub>V</sub>1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy.
Journal of medicinal chemistry, 2019
1548835 CIFC23 H23 N O4P 1 21/c 112.8609; 16.719; 8.987
90; 99.434; 90
1906.3Zhang, Wei; Lun, Shichun; Wang, Shu-Huan; Jiang, Xing-Wu; Yang, Fan; Tang, Jie; Manson, Abigail L.; Earl, Ashlee M.; Gunosewoyo, Hendra; Bishai, William R.; Yu, Li-Fang
Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis.
Journal of medicinal chemistry, 2018
1548826 CIFC21 H17 Br F3 N3 O3P 21 21 2110.3211; 19.696; 21.463
90; 90; 90
4363.1Shi, Jun; Gu, Zhengxiang; Jurica, Elizabeth Anne; Wu, Ximao; Haque, Lauren E.; Williams, Kristin N.; Hernandez, Andres S.; Hong, Zhenqiu; Gao, Qi; Dabros, Marta; Davulcu, Akin H.; Mathur, Arvind; Rampulla, Richard A.; Gupta, Arun Kumar; Jayaram, Ramya; Apedo, Atsu; Moore, Douglas B.; Liu, Heng; Kunselman, Lori K.; Brady, Edward J.; Wilkes, Jason J.; Zinker, Bradley A.; Cai, Hong; Shu, Yue-Zhong; Sun, Qin; Dierks, Elizabeth A.; Foster, Kimberly A.; Xu, Carrie; Wang, Tao; Panemangalore, Reshma; Cvijic, Mary Ellen; Xie, Chunshan; Cao, Gary G.; Zhou, Min; Krupinski, John; Whaley, Jean M.; Robl, Jeffrey A.; Ewing, William R.; Ellsworth, Bruce Alan
Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists.
Journal of medicinal chemistry, 2018
1547519 CIFC38 H39 F2 N5 O3P 1 21 112.1734; 11.7178; 15.5279
90; 110.903; 90
2069.21Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan
Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.
Journal of medicinal chemistry, 2017, 60, 9400-9406
1547327 CIFC31 H29 Fe N O4P 1 21/n 111.7418; 16.8025; 13.8536
90; 112.354; 90
2527.8Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard
A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.
Journal of medicinal chemistry, 2017, 60, 8358-8368
1547325 CIFC35.5 H41 Fe N O7P -19.6462; 11.3462; 34.2707
81.024; 83.266; 65.585
3367.79Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard
A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.
Journal of medicinal chemistry, 2017, 60, 8358-8368
1546982 CIFC32 H35 N3 Ni O3P 1 21 111.1064; 21.5351; 12.1674
90; 105.031; 90
2810.6McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.
Synthetic Modification within the "RPRL" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.
Journal of medicinal chemistry, 2017, 60, 6408-6427
1546508 CIFC31 H32 N6 Ni O3P 1 21 110.0992; 20.5006; 13.57
90; 90.2639; 90
2809.5McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.
Synthetic Modification within the "RPRL" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.
Journal of medicinal chemistry, 2017, 60, 6408-6427
1546199 CIFC25 H24 N2 O3P 21 21 2112.237; 12.4525; 13.7714
90; 90; 90
2098.5Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki
Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form.
Journal of medicinal chemistry, 2017, 60, 4503-4509
1545922 CIFC37 H39 N O5P 21 21 219.0661; 10.4931; 34.221
90; 90; 90
3255.5Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe
Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections.
Journal of medicinal chemistry, 2017, 60, 2669-2684
1545902 CIFC23 H27 N O4P 1 21 110.0156; 6.613; 15.9543
90; 91.121; 90
1056.5Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang
Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.
Journal of medicinal chemistry, 2017
1545901 CIFC22 H28 O4P 21 21 216.1077; 15.287; 21.901
90; 90; 90
2044.9Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang
Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics.
Journal of medicinal chemistry, 2017
1545900 CIFC25 H31 N O2P 1 21 15.4583; 10.396; 19.0896
90; 98.026; 90
1072.62Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang
Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics.
Journal of medicinal chemistry, 2017, 60, 3606-3617
1545873 CIFC29 H35 N5 O5 S4P 1 21 110.8556; 8.4638; 17.443
90; 96.664; 90
1591.8Antczak, Monika I.; Zhang, Yongyou; Wang, Changguang; Doran, Jennifer; Naidoo, Jacinth; Voruganti, Sukesh; Williams, Noelle S.; Markowitz, Sanford D.; Ready, Joseph M.
Inhibitors of 15-Prostaglandin Dehydrogenase to Potentiate Tissue Repair.
Journal of medicinal chemistry, 2017
1542627 CIFC23 H25 N2 O6 ReP -19.569; 9.937; 12.748
89.068; 68.454; 84.701
1122.4Li, Dan; Chen, Yuanyuan; Wang, Xia; Deuther-Conrad, Winnie; Chen, Xin; Jia, Bing; Dong, Chengyan; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei
(99m)Tc-Cyclopentadienyl Tricarbonyl Chelate-Labeled Compounds as Selective Sigma-2 Receptor Ligands for Tumor Imaging.
Journal of medicinal chemistry, 2016, 59, 934-946
1542365 CIFC22 H17 F O3 SP -15.7185; 11.8378; 13.7061
79.111; 86.121; 80.29
897.45Xiong, Rui; Patel, Hitisha K.; Gutgesell, Lauren M.; Zhao, Jiong; Delgado-Rivera, Loruhama; Pham, Thao N. D.; Zhao, Huiping; Carlson, Kathryn; Martin, Teresa; Katzenellenbogen, John A.; Moore, Terry W.; Tonetti, Debra A.; Thatcher, Gregory R. J.
Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer.
Journal of medicinal chemistry, 2016, 59, 219-237
1533375 CIFC30 H32 Cl F3 N2 O2 RuP 1 21/c 112.5656; 17.1429; 13.9971
90; 108.785; 90
2854.5Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José
Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study.
Journal of medicinal chemistry, 2015, 58, 7310-7327
1533374 CIFC30 H33 Cl F3 Ir N2 O2P 1 21/n 111.3662; 17.1523; 15.528
90; 111.111; 90
2824.1Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José
Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study.
Journal of medicinal chemistry, 2015, 58, 7310-7327
1529468 CIFC20 H17 N3P 1 21/c 117.171; 7.611; 25.394
90; 95.737; 90
3302.1Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli
Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease.
Journal of medicinal chemistry, 2015, 58, 6972-6983
1529467 CIFC18 H15 N3P 1 21/c 115.885; 7.4464; 25.627
90; 104.762; 90
2931.3Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli
Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease.
Journal of medicinal chemistry, 2015, 58, 6972-6983
1529429 CIFC15 H17 F3 O3P 21 21 218.511; 11.945; 14.173
90; 90; 90
1440.9Yang, Zhong-Jin; Ge, Wei-Zhi; Li, Qiu-Ying; Lu, Yaxin; Gong, Jian-Miao; Kuang, Bei-Jia; Xi, Xiaonan; Wu, Haiting; Zhang, Quan; Chen, Yue
Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues.
Journal of medicinal chemistry, 2015, 58, 7007-7020
1529317 CIFC16 H14 I N5P 1 21 18.499; 8.394; 11.73
90; 104.19; 90
811.292Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K.
Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.
Journal of medicinal chemistry, 2015, 58, 5930-5941
1520217 CIFC33 H38 N4 O6P 21 21 2111.4867; 12.742; 20.9942
90; 90; 90
3072.8Dufour-Gallant, Julien; Chatenet, David; Lubell, William D.
De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one γ-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo.
Journal of medicinal chemistry, 2015, 58, 4624-4637
1520062 CIFC40 H23 F12 N14 O0.5 P2 RuP -19.2489; 12.1579; 18.0824
82.455; 82.843; 81.221
1980.72Cloonan, Suzanne M.; Elmes, Robert B. P.; Erby, MariaLuisa; Bright, Sandra A.; Poynton, Fergus E.; Nolan, Derek E.; Quinn, Susan J.; Gunnlaugsson, Thorfinnur; Williams, D. Clive
Detailed Biological Profiling of a Photoactivated and Apoptosis Inducing pdppz Ruthenium(II) Polypyridyl Complex in Cancer Cells.
Journal of medicinal chemistry, 2015, 58, 4494-4505
1519611 CIFC12 H15 F N6 O4P 437.3545; 7.3545; 27.835
90; 90; 90
1505.6Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao
Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection.
Journal of medicinal chemistry, 2015, 58, 3693-3703
1518891 CIFC16 H15 N O2 SP 21 21 219.29143; 10.36338; 14.7858
90; 90; 90
1423.73Yoneda, Tetsuya; Tabata, Hidetsugu; Tasaka, Tomohiko Tasaka; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki
N-Benzoyl-1,5-benzothiazepine and Its S-Oxide as Vasopres-sin Receptor Ligands: Insight into the Active Stereochemistry around the 7-Membered Ring.
Journal of medicinal chemistry, 2015, 150324093458001
1518629 CIFC31 H26 Cl F9 N O P PtP 1 21/c 117.3951; 14.9557; 11.9109
90; 98.576; 90
3064Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José
Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.
Journal of medicinal chemistry, 2015, 58, 1320-1336
1518628 CIFC11 H17 Cl F N O Pt SP 1 21/c 15.9315; 12.1005; 19.7
90; 103.067; 90
1377.34Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José
Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.
Journal of medicinal chemistry, 2015, 58, 1320-1336
1518373 CIFC34 H33 Cl F6 N2 O P2 RuC 1 2/c 137.882; 10.817; 17.854
90; 108.766; 90
6927.1Frik, Malgorzata; Martínez, Alberto; Elie, Benelita T.; Gonzalo, Oscar; Ramírez de Mingo, Daniel; Sanaú, Mercedes; Sánchez-Delgado, Roberto; Sadhukha, Tanmoy; Prabha, Swayam; Ramos, Joe W.; Marzo, Isabel; Contel, María
In vitro and in vivo evaluation of water-soluble iminophosphorane ruthenium(II) compounds. A potential chemotherapeutic agent for triple negative breast cancer.
Journal of medicinal chemistry, 2014, 57, 9995-10012
1518236 CIFC13 H27 N O4 SP 1 21 16.0994; 22.475; 11.962
90; 91.895; 90
1638.9Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A.
Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.
Journal of medicinal chemistry, 2014, 57, 9644-9657
1518235 CIFC15 H33 N O5 SC 1 2 117.9092; 6.1043; 17.9815
90; 102.833; 90
1916.7Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A.
Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles.
Journal of medicinal chemistry, 2014, 57, 9644-9657
1518125 CIFC21 H25 F N6 O3P 1 21 19.9016; 10.9184; 19.2975
90; 102.826; 90
2034.19Grillot, Anne-Laure; Le Tiran, Arnaud; Shannon, Dean; Krueger, Elaine; Liao, Yusheng; O'Dowd, Hardwin; Tang, Qing; Ronkin, Steve; Wang, Tiansheng; Waal, Nathan; Li, Pan; Lauffer, David; Sizensky, Emmanuelle; Tanoury, Jerry; Perola, Emanuele; Grossman, Trudy H.; Doyle, Tim; Hanzelka, Brian; Jones, Steven; Dixit, Vaishali; Ewing, Nigel; Liao, Shengkai; Boucher, Brian; Jacobs, Marc; Bennani, Youssef; Charifson, Paul S.
Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability.
Journal of medicinal chemistry, 2014, 57, 8792-8816
1517447 CIFC46 H32 F12 N6 O2 P2 RuF d d 243.6636; 43.3688; 9.2311
90; 90; 90
17480.4Frei, Angelo; Rubbiani, Riccardo; Tubafard, Solmaz; Blacque, Olivier; Anstaett, Philipp; Felgenträger, Ariane; Maisch, Tim; Spiccia, Leone; Gasser, Gilles
Synthesis, Characterization, and Biological Evaluation of New Ru(II) Polypyridyl Photosensitizers for Photodynamic Therapy.
Journal of medicinal chemistry, 2014, 57, 7280-7292
1517410 CIFC15 H20 O3P 21 21 216.1945; 10.289; 21.907
90; 90; 90
1396.2Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue
Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.
Journal of medicinal chemistry, 2014, 57, 7098-7112
1517409 CIFC15 H23 N O3P 21 21 2111.012; 11.015; 12.183
90; 90; 90
1477.8Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue
Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol.
Journal of medicinal chemistry, 2014, 57, 7098-7112
1517246 CIFC16 H31 N3 O11 PtP 1 21/n 113.8623; 8.618; 18.7397
90; 97.841; 90
2217.81Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.
A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.
Journal of medicinal chemistry, 2014, 57, 6751-6764
1517245 CIFC16 H28 N4 O10 PtP 21 21 218.9059; 11.2218; 22.076
90; 90; 90
2206.3Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K.
A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs.
Journal of medicinal chemistry, 2014, 57, 6751-6764
1517164 CIFC23 H25 Cl F6 N3 O P RuP 1 21/n 19.887; 18.473; 14.002
90; 104.589; 90
2474.9Chow, Mun Juinn; Licona, Cynthia; Yuan Qiang Wong, Daniel; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han
Discovery and Investigation of Anticancer Ruthenium-Arene Schiff-Base Complexes via Water-Promoted Combinatorial Three-Component Assembly.
Journal of medicinal chemistry, 2014, 57, 6043-6059
1516883 CIFC14 H13 I O2P n a 216.1079; 7.2239; 28.327
90; 90; 90
1249.9Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli
Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains.
Journal of medicinal chemistry, 2014, 57, 6030-6042
1516882 CIFC14 H13 I O2P b c a7.8201; 15.7081; 21.1791
90; 90; 90
2601.6Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli
Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains.
Journal of medicinal chemistry, 2014, 57, 6030-6042
1516003 CIFC10 H17 N5 O6P 21 21 217.1785; 10.0813; 17.096
90; 90; 90
1237.2Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A
Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway.
Journal of medicinal chemistry, 2013, 56, 1730-1738
1514350 CIFC21 H18 Br2 F N3 OP 21 21 219.716; 23.201; 4.2513
90; 90; 90
1944.7Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M.
Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with Improved Druglike Properties.
Journal of medicinal chemistry, 2014, 57, 3746-3754
1513802 CIFC36 H46 Cl N5 O6 SC 1 2 128.087; 11.9998; 10.9846
90; 90.761; 90
3701.9Gentles, Robert G.; Ding, Min; Bender, John A.; Bergstrom, Carl P.; Grant-Young, Katharine; Hewawasam, Piyasena; Hudyma, Thomas; Martin, Scott; Nickel, Andrew; Regueiro-Ren, Alicia; Tu, Yong; Yang, Zhong; Yeung, Kap-Sun; Zheng, Xiaofan; Chao, Sam; Sun, Jung-Hui; Beno, Brett R.; Camac, Daniel M.; Chang, Chong-Hwan; Gao, Mian; Morin, Paul E.; Sheriff, Steven; Tredup, Jeff; Wan, John; Witmer, Mark R.; Xie, Dianlin; Hanumegowda, Umesh; Knipe, Jay; Mosure, Kathy; Santone, Kenneth S.; Parker, Dawn D.; Zhuo, Xiaoliang; Lemm, Julie; Liu, Mengping; Pelosi, Lenore; Rigat, Karen; Voss, Stacey; Wang, Yi; Wang, Ying-Kai; Colonno, Richard J.; Gao, Min; Roberts, Susan B.; Gao, Qi; Ng, Alicia; Meanwell, Nicholas A.; Kadow, John F.
Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
Journal of medicinal chemistry, 2014, 57, 1855-1879
1513077 CIFC22 H26 O7P 1 21 18.4083; 10.1331; 11.461
90; 94.736; 90
973.2Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Yang, Zhengduo; Wild, Christopher; Ye, Na; Ester, Corbin D.; Xiong, Ailian; White, Mark A.; Shen, Qiang; Zhou, Jia
Oridonin Ring A-Based Diverse Constructions of Enone Functionality: Identification of Novel Dienone Analogues Effective for Highly Aggressive Breast Cancer by Inducing Apoptosis
Journal of Medicinal Chemistry, 2013, 56, 8814
1512250 CIFC29 H34 Br Cu N9 O2 PC 1 2/c 139.605; 14.234; 11.434
90; 96.11; 90
6409Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina
Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity.
Journal of medicinal chemistry, 2013, 56, 7416-7430
1512249 CIFC24 H27 Cl Cu N6 O PP 1 21/n 18.343; 15.605; 20.06
90; 95.36; 90
2600.2Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina
Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity.
Journal of medicinal chemistry, 2013, 56, 7416-7430
1512128 CIFC25 H22 Cl5 N2 P PdP 1 21/n 113.102; 14.328; 15.347
90; 111.72; 90
2676.5Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María
Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights
Journal of Medicinal Chemistry, 2013, 56, 5806
1512127 CIFC29 H29 Cl2 Fe N2 O P PdP -19.942; 11.73; 13.316
85.63; 81.75; 65.43
1397.4Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María
Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights
Journal of Medicinal Chemistry, 2013, 56, 5806
1511977 CIFC21 H25 F N O2.5C 1 2/c 121.457; 5.787; 29.727
90; 98.372; 90
3652Li, Yan; Wang, Xia; Zhang, Jinming; Deuther-Conrad, Winnie; Xie, Fang; Zhang, Xiaojun; Liu, Jian; Qiao, Jinping; Cui, Mengchao; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei
Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging.
Journal of medicinal chemistry, 2013, 56, 3478-3491
1511779 CIFC21 H26 F2 O4P 1 21/c 120.784; 10.63; 8.5364
90; 90.131; 90
1886Han, Changho; Salyer, Amy E.; Kim, Eun Hoo; Jiang, Xinyi; Jarrard, Rachel E.; Powers, Matthew S.; Kirchhoff, Aaron M.; Salvador, Tolani K.; Chester, Julia A.; Hockerman, Gregory H.; Colby, David A.
Evaluation of Difluoromethyl Ketones as Agonists of the γ-Aminobutyric Acid Type B (GABAB) Receptor.
Journal of medicinal chemistry, 2013, 56, 2456-2465
1508918 CIFC14 H24 Cu N6 S2P -17.58; 12.83; 18.298
98.489; 99.605; 91.102
1733.6Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.
In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.
Journal of medicinal chemistry, 2013, 56, 722-734
1508917 CIFC49 H54 Cl2 Cu2 N12 S4P 1 21/c 115.1825; 11.7338; 29.6982
90; 100.534; 90
5201.5Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.
In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.
Journal of medicinal chemistry, 2013, 56, 722-734
1508916 CIFC18 H18 Cu N6 S2P b c n31.372; 7.5677; 7.9918
90; 90; 90
1897.4Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G.
In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes.
Journal of medicinal chemistry, 2013, 56, 722-734
1508820 CIFC12 H22 Cl2 N2 O8 PtP -18.2185; 10.0375; 12.4165
67.002; 71.136; 84.577
891.63Varbanov, Hristo P.; Jakupec, Michael A.; Roller, Alexander; Jensen, Frank; Galanski, Markus; Keppler, Bernhard K.
Theoretical Investigations and Density Functional Theory Based Quantitative Structure-Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes.
Journal of medicinal chemistry, 2013, 56, 330-344
1508520 CIFC7 H17 Cl2 F3 N2 O4 PtP -16.1836; 8.0658; 15.5374
102.217; 92.75; 108.655
711.98Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K.
Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity.
Journal of medicinal chemistry, 2012, 55, 11052-11061
1508519 CIFC25 H26 Fe N2 O2P c a 2119.7267; 5.7377; 36.268
90; 90; 90
4105Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles
Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.
Journal of medicinal chemistry, 2012, 55, 8790-8798
1508518 CIFC23 H24 Fe N2 OP -17.455; 10.3389; 13.2992
72.296; 81.3454; 78.354
952.04Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles
Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.
Journal of medicinal chemistry, 2012, 55, 8790-8798
1508517 CIFC23 H22 Fe N2 O2P 1 21/c 122.584; 7.59176; 10.5047
90; 92.039; 90
1799.91Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles
Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.
Journal of medicinal chemistry, 2012, 55, 8790-8798
1508516 CIFC22 H20 Cu N2 O2P -19.242; 10.288; 14.494
77.219; 84.291; 80.289
1321.9Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano
Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation.
Journal of medicinal chemistry, 2012, 55, 10448-10459
1508515 CIFC10.5 H17 Cl2 N2 O4.5 PtP 1 21/c 113.66; 9.867; 23.937
90; 98.52; 90
3190.7Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han
Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation.
Journal of medicinal chemistry, 2012, 55, 7571-7582
1508253 CIFC18 H27 F2 N O5C 1 2 113.6384; 7.1514; 19.5985
90; 101.048; 90
1876.09Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong
Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection.
Journal of medicinal chemistry, 2012, 55, 6061-6075
1507789 CIFC10 H12 F3 N3 O5 PtP 1 21/c 118.336; 7.1871; 10.8106
90; 100.556; 90
1400.5Wilson, Justin J.; Lippard, Stephen J.
In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.
Journal of medicinal chemistry, 2012, 55, 5326-5336
1507788 CIFC10 H15 N3 O5 PtP c a 219.4898; 15.218; 8.9436
90; 90; 90
1291.6Wilson, Justin J.; Lippard, Stephen J.
In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.
Journal of medicinal chemistry, 2012, 55, 5326-5336
1507656 CIFC9 H11 N O SeP 1 21/n 19.598; 8.166; 12.75
90; 103.19; 90
972.9Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A
Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.
Journal of medicinal chemistry, 2012, 55, 4652-4663
1507655 CIFC13 H15 Fe N O SeC 1 2/c 117.983; 7.4102; 19.235
90; 93.649; 90
2558Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A
Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.
Journal of medicinal chemistry, 2012, 55, 4652-4663
1507499 CIFC12 H13 Br Cl N3 SP 1 21/c 121.335; 9.315; 14.491
90; 102.995; 90
2806.12Schröder, Jörg; Henke, Andreas; Wenzel, Herbert; Brandstetter, Hans; Stammler, Hans G.; Stammler, Anja; Pfeiffer, Wolf D.; Tschesche, Harald
Structure-Based Design and Synthesis of Potent Matrix Metalloproteinase Inhibitors Derived from a 6H-1,3,4-Thiadiazine Scaffold
Journal of Medicinal Chemistry, 2001, 44, 3231
1506804 CIFC19 H27 F N2 O3P 21 21 219.907; 10.077; 19.678
90; 90; 90
1964.51Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina
Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold.
Journal of medicinal chemistry, 2004, 47, 6595-6602
1506359 CIFC57 H58 N2 O22P 3115.6681; 15.6681; 17.4559
90; 90; 120
3711.12Post, Glen C.; Barthel, Benjamin L.; Burkhart, David J.; Hagadorn, John R.; Koch, Tad H.
Doxazolidine, a proposed active metabolite of doxorubicin that cross-links DNA.
Journal of medicinal chemistry, 2005, 48, 7648-7657
1506358 CIFC20 H24 Cl2 N2 O9 PtP -18.9038; 12.4327; 12.8543
62.59; 82.906; 72.039
1201.4Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.
Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.
Journal of medicinal chemistry, 2005, 48, 8060-8069
1506357 CIFC24 H30 Cl2 N4 O6 PtP -17.8196; 12.2969; 16.4366
81.492; 77.063; 88.498
1523.4Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.
Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.
Journal of medicinal chemistry, 2005, 48, 8060-8069
1506356 CIFC26 H36 Cl2 N2 O6 PtI 1 2/a 123.951; 7.8455; 32.732
90; 110.353; 90
5766.6Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.
Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.
Journal of medicinal chemistry, 2005, 48, 8060-8069
1506355 CIFC22 H32 Cl2 N2 O6 PtP 1 21/c 17.7485; 18.294; 18.356
90; 92.129; 90
2600.2Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J.
Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake.
Journal of medicinal chemistry, 2005, 48, 8060-8069
1506354 CIFC9 H8 I N O2P 1 21/c 14.1515; 16.0162; 14.1406
90; 97.411; 90
932.37Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark
Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors.
Journal of medicinal chemistry, 2005, 48, 6140-6155
1506353 CIFC23 H21 F4 N O4P -18.8822; 9.7444; 12.9675
76.306; 72.48; 89.873
1036.98Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark
Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors.
Journal of medicinal chemistry, 2005, 48, 6140-6155
1506352 CIFC28 H38 N O6 PP 16.413; 13.141; 17.092
82.02; 86.3; 76.29
1385.1Albert, Rainer; Hinterding, Klaus; Brinkmann, Volker; Guerini, Danilo; Müller-Hartwieg, Constanze; Knecht, Helmut; Simeon, Corinne; Streiff, Markus; Wagner, Trixie; Welzenbach, Karl; Zécri, Frédéric; Zollinger, Markus; Cooke, Nigel; Francotte, Eric
Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer.
Journal of medicinal chemistry, 2005, 48, 5373-5377
1506351 CIFC41 H60 Co2 Fe N22 O17 S4P -115.278; 13.533; 7.977
84.4; 76.78; 77.22
1563.9Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto
Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.
Journal of medicinal chemistry, 2005, 48, 1671-1675
1506350 CIFC23 H34 Cu2 Fe N14 O11 S2P 1 21/n 113.946; 7.163; 18.389
90; 93.37; 90
1833.8Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto
Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.
Journal of medicinal chemistry, 2005, 48, 1671-1675
1506349 CIFC14 H16 Cu Fe N10 O5 SP 1 21/n 113.157; 13.641; 14.205
90; 115.98; 90
2291.8Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto
Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity.
Journal of medicinal chemistry, 2005, 48, 1671-1675
1506348 CIFC21 H28 O2 SP 21 21 2111.153; 12.65; 12.94
90; 90; 90
1825.6Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo
6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity.
Journal of medicinal chemistry, 2005, 48, 5675-5683
1506347 CIFC21 H28 O3P 21 21 2110.405; 16.508; 20.85
90; 90; 90
3581.3Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo
6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity.
Journal of medicinal chemistry, 2005, 48, 5675-5683
1506346 CIFC34 H36 Cl2 N8 O2 RuP -110.891; 13.279; 14.399
65.66; 69.04; 68.36
1710.8Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K.
Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.
Journal of medicinal chemistry, 2005, 48, 2831-2837
1506345 CIFC30 H32 Cl3 N8 O2 RuC 1 c 117.681; 11.082; 16.738
90; 102.46; 90
3202.4Jakupec, Michael A.; Reisner, Erwin; Eichinger, Anna; Pongratz, Martina; Arion, Vladimir B.; Galanski, Markus; Hartinger, Christian G.; Keppler, Bernhard K.
Redox-active antineoplastic ruthenium complexes with indazole: correlation of in vitro potency and reduction potential.
Journal of medicinal chemistry, 2005, 48, 2831-2837
1506344 CIFC19 H29 N O5P 1 21 16.866; 19.559; 7.04
90; 97.132; 90
938.1Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna
Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter.
Journal of medicinal chemistry, 2005, 48, 3337-3343
1505687 CIFC36 H34 B Cl N4 RuP 1 21/n 113.3895; 12.5339; 18.671
90; 104.039; 90
3039.8Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505686 CIFC34 H52 Cl4 N4 Ru2P -112.4321; 12.9605; 13.0867
90.149; 117.791; 90.948
1865Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505685 CIFC18 H24 B2 F8 N6 RuP 1 21/c 18.4268; 13.5307; 19.9593
90; 91.305; 90
2275.2Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505684 CIFC24 H38 Cl2 N4 RuP -18.563; 13.044; 13.243
110.87; 98.93; 95.91
1345.2Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505683 CIFC18 H28 Cl2 N4 O RuP -17.8903; 9.5995; 14.1039
78.964; 87.859; 86.905
1046.59Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.
Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.
Journal of medicinal chemistry, 2006, 49, 5552-5561
1505682 CIFC27 H25 Au N O5 P SP -110.218; 12.489; 12.62
106.208; 112.512; 104.97
1302Gunatilleke, Shamila S.; Barrios, Amy M.
Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation.
Journal of medicinal chemistry, 2006, 49, 3933-3937
1505681 CIFC45 H58 Br2 N2 O15P 21 21 2111.054; 20.276; 21.194
90; 90; 90
4750Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P.
Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds.
Journal of medicinal chemistry, 2006, 49, 1891-1899
1505680 CIFC23 H30 O7P 1 21 18.8996; 12.0769; 10.5206
90; 90.695; 90
1130.67Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H.
Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.
Journal of medicinal chemistry, 2006, 49, 2174-2185
1505044 CIFC36 H45 Cl2 N5 O5 RuP 1 21/c 110.771; 25.04; 13.238
90; 91.84; 90
3568.5Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505043 CIFC32 H32.5 Cl2 N4 O0.25 OsP -113.958; 14.0949; 18.3531
96.749; 108.022; 102.05
3292.9Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505042 CIFC35.9 H42.95 Cl2 N5 O4.08 OsP -112.2836; 12.6756; 14.2592
95.491; 107.998; 118.072
1784.59Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505041 CIFC130 H133 Br4 Cl8 N16 O3.5 Os4P -113.8319; 14.1376; 18.3912
98.511; 107.338; 102.012
3271.8Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505040 CIFC35 H36 Cl2 N4 O2 OsP 1 c 19.876; 9.6263; 17.46
90; 104.32; 90
1608.3Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505039 CIFC36 H43 Cl2 N5 O4 RuP -112.2485; 12.6418; 14.3132
95.421; 108.122; 118.054
1780.65Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355

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