CFam Chemical Families Database
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You are searching for "CFAMM00255710" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00255710
Family CFFID1962 Cholecystokinin receptor type A Ligand VL-1499 Family
Superfamily CFSID1480 Cholecystokinin receptor type A Ligand VL-1499 Superfamily
Class CFCAD311 Class 311
External ID CHEMBL293943 External Source CHEMBL
PubChem CID 23644689 Functional Category Bioactive
Molecule Name AGN-PC-046PDL
IUPAC Name 2-[4-[2-acetamido-3-[[5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentyl]amino]-3-oxopropyl]-2-ethyl-N-oxaloanilino]benzoic acid
Synonyms oxalyl-aryl-amino benzoic acid-based inhibitor 8f;2-[4-[2-acetamido-3-[[5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentyl]amino]-3-oxopropyl]-2-ethyl-N-oxaloanilino]benzoic acid
InChi InChI=1S/C36H41N5O9/c1-3-25-19-24(16-17-29(25)41(34(46)36(49)50)30-14-8-7-13-26(30)35(47)48)21-28(39-22(2)42)33(45)38-18-10-9-15-31(43)40-27(32(37)44)20-23-11-5-4-6-12-23/h4-8,11-14,16-17,19,27-28H,3,9-10,15,18,20-21H2,1-2H3,(H2,37,44)(H,38,45)(H,39,42)(H,40,43)(H,47,48)(H,49,50)
InChiKey OUSQUOSIODLPFL-UHFFFAOYSA-N
Formula C36H41N5O9 Molecular Weight 687.74
Cross Link CHEMBL293943
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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