CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00113238" 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 CFAMM00113238
Family CFFAD925 Sarcoplasmic/endoplasmic reticulum calcium ATPase inhibitor quinoline derivative Piperaquine Family
Superfamily CFSAD133 Glutamate dehydrogenase, calcium ATPase binding quinoline derivative Chloroquine Piperaquine Superfamily
Class CFCAD131 Class 131
External ID CHEMBL198464 External Source CHEMBL
PubChem CID 10205978 Functional Category Bioactive
Molecule Name SureCN6184825
IUPAC Name 8-[3-[1-(4-chlorophenyl)-2-(1-oxidopyridin-1-ium-4-yl)ethyl]phenyl]-6-propan-2-ylquinoline
Synonyms CHEBI:433274
InChi InChI=1S/C31H27ClN2O/c1-21(2)27-19-26-7-4-14-33-31(26)30(20-27)25-6-3-5-24(18-25)29(23-8-10-28(32)11-9-23)17-22-12-15-34(35)16-13-22/h3-16,18-21,29H,17H2,1-2H3
InChiKey YPVISLYCIGDNCE-UHFFFAOYSA-N
Formula C31H27ClN2O Molecular Weight 479.01
Cross Link CHEMBL198464
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
 

 

27620 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', 'CFAMM00113238'),None, txtsearch, CFAMM00113238|