CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00234000" 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.

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CFAM Mol ID CFAMM00234000
Family CFFID1275 Leukotriene B4 receptor 1 Ligand SB-209247 Family
Superfamily CFSID1022 Leukotriene B4 receptor 1 Ligand SB-209247 Superfamily
Class CFCID698 Class 2048
External ID CHEMBL125135 External Source CHEMBL
PubChem CID 10051321 Functional Category Bioactive
Molecule Name 3-[2-carboxyethylsulfanyl-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]sulfanylpropanoic acid
IUPAC Name 3-[2-carboxyethylsulfanyl-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]sulfanylpropanoic acid
Synonyms CHEBI:308221
InChi InChI=1S/C23H22ClNO5S2/c24-17-6-4-15-5-7-18(25-20(15)13-17)14-30-19-3-1-2-16(12-19)23(31-10-8-21(26)27)32-11-9-22(28)29/h1-7,12-13,23H,8-11,14H2,(H,26,27)(H,28,29)
InChiKey XMIFZDOUMOUGOQ-UHFFFAOYSA-N
Formula C23H22ClNO5S2 Molecular Weight 492.01
Cross Link CHEMBL125135
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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