CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00183623" in compound.

Total 1 results found.

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

Search Results

CFAM Mol ID CFAMM00183623
Family CFFID189 Integrin alpha-4 Inhibitor BIO-1211 Family
Superfamily CFSID153 Integrin alpha-4 Inhibitor BIO-1211 Superfamily
Class CFCID105 Class 1455
External ID CHEMBL101209 External Source CHEMBL
PubChem CID 44331476 Functional Category Bioactive
Molecule Name AGN-PC-074SSW
IUPAC Name 3-[[2-[3-methylbutyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]-(2-phenylethyl)amino]propanoic acid
Synonyms CHEBI:264152;3-[[2-[3-methylbutyl-[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]-(2-phenylethyl)amino]propanoic acid
InChi InChI=1S/C34H42N4O5/c1-25(2)17-20-38(24-32(40)37(22-19-33(41)42)21-18-27-10-5-4-6-11-27)31(39)23-28-13-15-29(16-14-28)35-34(43)36-30-12-8-7-9-26(30)3/h4-16,25H,17-24H2,1-3H3,(H,41,42)(H2,35,36,43)
InChiKey JWBMLMOGAGQHTH-UHFFFAOYSA-N
Formula C34H42N4O5 Molecular Weight 586.72
Cross Link CHEMBL101209
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
 

 

48716 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00183623'),None, txtsearch, CFAMM00183623|