CFam Chemical Families Database
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You are searching for "CFAMM00374356" in compound.

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CFAM Mol ID CFAMM00374356
Family CFFBM6686 Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha and Protein farnesyltransferase subunit beta inhibitor (2S)-2-[[4-[(E)-2-[4-[hydroxy(phenyl)methyl]pyridin-3-yl]ethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid family
Superfamily CFSBM3844 Caspase-1 and Cytochrome P450 3A4 Binder Superfamily
Class CFCAD137 Class 137
External ID CHEMBL347874 External Source CHEMBL
PubChem CID 44375292 Functional Category Bioactive
Molecule Name (2S)-2-[[4-[(E)-2-[4-[1-adamantyl(hydroxy)methyl]pyridin-3-yl]ethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
IUPAC Name (2S)-2-[[4-[(E)-2-[4-[1-adamantyl(hydroxy)methyl]pyridin-3-yl]ethenyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
Synonyms CHEBI:369193
InChi InChI=1S/C37H42N2O4S/c1-23-5-3-4-6-29(23)32-18-24(8-10-31(32)35(41)39-33(36(42)43)12-14-44-2)7-9-28-22-38-13-11-30(28)34(40)37-19-25-15-26(20-37)17-27(16-25)21-37/h3-11,13,18,22,25-27,33-34,40H,12,14-17,19-21H2,1-2H3,(H,39,41)(H,42,43)/b9-7+/t25-,26+,27-,33-,34?,37-/m0/s1
InChiKey DCDYIJATVKPDDB-QQEIILFWSA-N
Formula C37H42N2O4S Molecular Weight 610.81
Cross Link CHEMBL347874
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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