CFam Chemical Families Database
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You are searching for "CFAMM00428566" in compound.

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CFAM Mol ID CFAMM00428566
Family CFFBM14447 Cytosolic phospholipase A2 inhibitor cPLA2alpha Inhibitor family
Superfamily CFSBM6330 Cytosolic phospholipase A2 and Cytosolic phospholipase A2 inhibitor cPLA2alpha Binder Superfamily
Class CFCBM1995 Class 5045
External ID CHEMBL441326 External Source CHEMBL
PubChem CID 9833099 Functional Category Bioactive
Molecule Name cPLA2alpha Inhibitor
IUPAC Name (E)-N-[[(2S,4R)-1-[2-(2,4-difluorobenzoyl)benzoyl]-4-[2-methylpropyl-[(2-phenylphenyl)methyl]amino]pyrrolidin-2-yl]methyl]-3-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]prop-2-enamide
Synonyms N-{(2S,4R)-4-(Biphenyl-2-ylmethyl-isobutyl-amino)-1-[2-(2,4-difluorobenzoyl)-benzoyl]-pyrrolidin-2-ylmethyl}-3-[4-(2,4-dioxothiazolidin-5-ylidenemethyl)-phenyl]acrylamide, HCl;CHEBI:105007
InChi InChI=1S/C49H44F2N4O5S/c1-31(2)28-54(29-35-12-6-7-13-39(35)34-10-4-3-5-11-34)38-26-37(27-52-45(56)23-20-32-16-18-33(19-17-32)24-44-47(58)53-49(60)61-44)55(30-38)48(59)41-15-9-8-14-40(41)46(57)42-22-21-36(50)25-43(42)51/h3-25,31,37-38H,26-30H2,1-2H3,(H,52,56)(H,53,58,60)/b23-20+,44-24-/t37-,38+/m0/s1
InChiKey OBIPTWMZQPZWHN-NFFGKUDUSA-N
Formula C49H44F2N4O5S Molecular Weight 838.96
Cross Link CHEMBL441326
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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