CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00386488" 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 CFAMM00386488
Family CFFBM8242 Integrin beta-1 and Integrin alpha-4 inhibitor AGN-PC-02YIN5 family
Superfamily CFSBM4455 D(2) dopamine receptor and Integrin beta-1 Binder Superfamily
Class CFCID1057 Class 2407
External ID CHEMBL179780 External Source CHEMBL
PubChem CID 20737953 Functional Category Bioactive
Molecule Name AGN-PC-02YIN5
IUPAC Name 2-[4-[[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]methyl]piperazin-1-yl]acetic acid
Synonyms SureCN5151825;CHEBI:405384;2-[4-[[1-[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]pyrrolidin-2-yl]methyl]piperazin-1-yl]acetic acid
InChi InChI=1S/C28H37N5O5/c1-20-6-3-4-8-23(20)29-28(37)30-24-10-9-21(16-25(24)38-2)17-26(34)33-11-5-7-22(33)18-31-12-14-32(15-13-31)19-27(35)36/h3-4,6,8-10,16,22H,5,7,11-15,17-19H2,1-2H3,(H,35,36)(H2,29,30,37)
InChiKey GCTCMPMLQFPTJM-UHFFFAOYSA-N
Formula C28H37N5O5 Molecular Weight 523.62
Cross Link CHEMBL179780
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
 

 

27668 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', 'CFAMM00386488'),None, txtsearch, CFAMM00386488|