CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00276258" 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 CFAMM00276258
Family CFFID2781 Poly [ADP-ribose] polymerase 1 Inhibitor N-(4-phenylthiazol-2-yl)isonicotinamide Family
Superfamily CFSID1436 Cyclin-dependent kinase 5 and Poly [ADP-ribose] polymerase 1 Binder Superfamily
Class CFCID250 Class 1600
External ID CHEMBL315156 External Source CHEMBL
PubChem CID 44320871 Functional Category Bioactive
Molecule Name AGN-PC-074ML4
IUPAC Name 2-[(6-methylpyridin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
Synonyms CHEBI:240096;2-[(6-methylpyridin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxamide
InChi InChI=1S/C23H22N4OS/c1-13-10-14(2)21(15(3)11-13)27-22(28)17-8-9-18-19(12-17)29-23(25-18)26-20-7-5-6-16(4)24-20/h5-12H,1-4H3,(H,27,28)(H,24,25,26)
InChiKey HOOSONNRGCETAU-UHFFFAOYSA-N
Formula C23H22N4OS Molecular Weight 402.51
Cross Link CHEMBL315156
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', 'CFAMM00276258'),None, txtsearch, CFAMM00276258|