CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00365590" 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 CFAMM00365590
Family CFFBM5715 Cysteinyl leukotriene receptor 1 ligand 3-[1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-[2-(dimethylcarbamoyl)phenyl]propyl]sulfanyl-2-methylpropanoic acid family
Superfamily CFSBM3320 Prostaglandin E synthase and Arachidonate 5-lipoxygenase Binder Superfamily
Class CFCID287 Class 1637
External ID 19767890 External Source PubChem
PubChem CID 19767890 Functional Category Patent Compound
Molecule Name AGN-PC-02JSY3
IUPAC Name 3-[3-[2-chloro-6-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
Synonyms SureCN9207525;3-[3-[2-chloro-6-(dimethylcarbamoyl)phenyl]-1-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]propyl]sulfanylpropanoic acid
InChi InChI=1S/C31H30Cl2N2O4S/c1-35(2)31(38)26-7-4-8-27(33)25(26)13-14-29(40-16-15-30(36)37)21-5-3-6-24(17-21)39-19-23-12-10-20-9-11-22(32)18-28(20)34-23/h3-12,17-18,29H,13-16,19H2,1-2H3,(H,36,37)
InChiKey WHLTUAHELIHNFA-UHFFFAOYSA-N
Formula C31H30Cl2N2O4S Molecular Weight 597.55
Cross Link
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
 

 

80852 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', 'CFAMM00365590'),None, txtsearch, CFAMM00365590|