CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00400093" 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 CFAMM00400093
Family CFFBM10174 Serine/threonine-protein kinase Chk1 and Cyclin-dependent kinase 7 inhibitor N-(2-aminoethyl)-5-[2-[(3-chloropyridin-2-yl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide family
Superfamily CFSBM272 Serine/threonine-protein kinase Chk1 and Cyclin-dependent kinase 7 Binder Superfamily
Class CFCBM105 Class 3155
External ID CHEMBL403344 External Source CHEMBL
PubChem CID 44446934 Functional Category Bioactive
Molecule Name [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-piperazin-1-ylmethanone
IUPAC Name [2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]phenyl]-piperazin-1-ylmethanone
Synonyms CHEBI:523078
InChi InChI=1S/C20H21N5OS2/c1-14-5-6-15(12-16(14)19(26)25-10-8-21-9-11-25)27-18-13-23-20(28-18)24-17-4-2-3-7-22-17/h2-7,12-13,21H,8-11H2,1H3,(H,22,23,24)
InChiKey DQXCPRDAVDPEBG-UHFFFAOYSA-N
Formula C20H21N5OS2 Molecular Weight 411.54
Cross Link CHEMBL403344
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
 

 

26858 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', 'CFAMM00400093'),None, txtsearch, CFAMM00400093|