CFam Chemical Families Database
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You are searching for "CFAMM00183621" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00183621
Family CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family
Superfamily CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily
Class CFCID105 Class 1455
External ID CHEMBL263046 External Source CHEMBL
PubChem CID 44392261 Functional Category Bioactive
Molecule Name AGN-PC-075E5E
IUPAC Name 4-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]amino]butanoic acid
Synonyms CHEBI:405307;4-[[1-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidine-2-carbonyl]amino]butanoic acid
InChi InChI=1S/C25H30N4O5/c1-17-6-2-3-7-20(17)28-25(34)27-19-12-10-18(11-13-19)16-22(30)29-15-5-8-21(29)24(33)26-14-4-9-23(31)32/h2-3,6-7,10-13,21H,4-5,8-9,14-16H2,1H3,(H,26,33)(H,31,32)(H2,27,28,34)
InChiKey QANNNUOCLQWQIR-UHFFFAOYSA-N
Formula C25H30N4O5 Molecular Weight 466.53
Cross Link CHEMBL263046
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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