CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00335195" 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 CFAMM00335195
Family CFFBM2538 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 3A ligand AGN-PC-088F8B family
Superfamily CFSBM1381 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 3A Binder Superfamily
Class CFCCD11 Class 824
External ID CHEMBL198463 External Source CHEMBL
PubChem CID 11662592 Functional Category Bioactive
Molecule Name AGN-PC-00DNKS
IUPAC Name 7-methyl-3-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
Synonyms CHEBI:433436;7-methyl-3-[2-(4-quinolin-4-ylpiperazin-1-yl)ethyl]-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
InChi InChI=1S/C25H28N6OS/c1-28-9-7-19-22(16-28)33-24-23(19)25(32)31(17-27-24)15-12-29-10-13-30(14-11-29)21-6-8-26-20-5-3-2-4-18(20)21/h2-6,8,17H,7,9-16H2,1H3
InChiKey IXHFUNSVBJAYHP-UHFFFAOYSA-N
Formula C25H28N6OS Molecular Weight 460.59
Cross Link CHEMBL198463
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
 

 

48708 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', 'CFAMM00335195'),None, txtsearch, CFAMM00335195|