CFam Chemical Families Database
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You are searching for "CFAMM00398450" 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 CFAMM00398450
Family CFFBM9873 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 1B ligand AGN-PC-075YDL family
Superfamily CFSBM4981 Monocarboxylate transporter 1 and Cytochrome P450 2C9 Binder Superfamily
Class CFCBM320 Class 3370
External ID CHEMBL438619 External Source CHEMBL
PubChem CID 44405730 Functional Category Bioactive
Molecule Name AGN-PC-075YE6
IUPAC Name 3-[2-(4-isoquinolin-8-ylpiperazin-1-yl)ethyl]-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
Synonyms CHEBI:433675;3-[2-(4-isoquinolin-8-ylpiperazin-1-yl)ethyl]-7-methyl-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-d]pyrimidin-4-one
InChi InChI=1S/C25H28N6OS/c1-28-8-6-19-22(16-28)33-24-23(19)25(32)31(17-27-24)14-11-29-9-12-30(13-10-29)21-4-2-3-18-5-7-26-15-20(18)21/h2-5,7,15,17H,6,8-14,16H2,1H3
InChiKey MPEPNFOQCGMXGQ-UHFFFAOYSA-N
Formula C25H28N6OS Molecular Weight 460.59
Cross Link CHEMBL438619
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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