CFam Chemical Families Database
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You are searching for "CFAMM00392734" in compound.

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CFAM Mol ID CFAMM00392734
Family CFFBM9060 Collagenase 3 and A disintegrin and metalloproteinase with thrombospondin motifs 4 inhibitor (2R)-3-methyl-2-[[4-[4-[(2-methylpyridin-4-yl)methoxy]phenyl]phenyl]sulfonylamino]butanoic acid family
Superfamily CFSCD271 Prostaglandin E2 receptor EP2 subtype Ligand CP-533536 Superfamily
Class CFCCD189 Class 1002
External ID CHEMBL449253 External Source CHEMBL
PubChem CID 44592768 Functional Category Bioactive
Molecule Name AGN-PC-077TWH
IUPAC Name 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]propanoic acid
Synonyms SureCN3849439;CHEBI:622719;2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[5-methoxy-2-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]indol-3-yl]propanoic acid
InChi InChI=1S/C31H29F3N2O7S/c1-4-5-16-42-22-10-13-25(14-11-22)44(39,40)35-28(30(37)38)18-26-20(2)36(29-15-12-24(41-3)17-27(26)29)19-21-6-8-23(9-7-21)43-31(32,33)34/h6-15,17,28,35H,16,18-19H2,1-3H3,(H,37,38)
InChiKey MPXXKNZEBNNEBF-UHFFFAOYSA-N
Formula C31H29F3N2O7S Molecular Weight 630.63
Cross Link CHEMBL449253
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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