CFam Chemical Families Database
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You are searching for "CFAMM00488088" in compound.

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CFAM Mol ID CFAMM00488088
Family CFFBM29168 Melanin-concentrating hormone receptor 1 and Potassium voltage-gated channel subfamily H member 2 ligand 1-[[(1R,2R)-2-hydroxycyclohexyl]methyl]-3-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]urea family
Superfamily CFSBM10040 Melanin-concentrating hormone receptor 1 and Potassium voltage-gated channel subfamily H member 2 Binder Superfamily 6
Class CFCBM58 Class 3108
External ID CHEMBL561546 External Source CHEMBL
PubChem CID 45268644 Functional Category Bioactive
Molecule Name AGN-PC-07C4CN
IUPAC Name 3-phenyl-3-[[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]carbamoylamino]propanoic acid
Synonyms CHEBI:657607;3-phenyl-3-[[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]carbamoylamino]propanoic acid
InChi InChI=1S/C27H29F3N4O3/c28-27(29,30)21-6-8-23(9-7-21)34-15-10-19(18-34)17-33-13-11-22(12-14-33)31-26(37)32-24(16-25(35)36)20-4-2-1-3-5-20/h1-10,15,18,22,24H,11-14,16-17H2,(H,35,36)(H2,31,32,37)
InChiKey DHUWTHTVTADNHR-UHFFFAOYSA-N
Formula C27H29F3N4O3 Molecular Weight 514.54
Cross Link CHEMBL561546
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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