CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00311251" 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 CFAMM00311251
Family CFFBM411 Tyrosine-protein kinase JAK3 and Tyrosine-protein kinase JAK2 inhibitor SureCN1266201 family
Superfamily CFSBM160 Vascular endothelial growth factor receptor 2 and Tyrosine-protein kinase Lyn Binder Superfamily
Class CFCBM4 Class 3054
External ID CHEMBL474747 External Source CHEMBL
PubChem CID 44564926 Functional Category Bioactive
Molecule Name AGN-PC-078XLO
IUPAC Name 2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one
Synonyms SureCN13966249;CHEBI:557724;2-(cyclopropylamino)-9-(3-fluorophenyl)-7-[(2-methoxyphenyl)methyl]purin-8-one
InChi InChI=1S/C22H20FN5O2/c1-30-19-8-3-2-5-14(19)13-27-18-12-24-21(25-16-9-10-16)26-20(18)28(22(27)29)17-7-4-6-15(23)11-17/h2-8,11-12,16H,9-10,13H2,1H3,(H,24,25,26)
InChiKey QKENJSZXIDEZOZ-UHFFFAOYSA-N
Formula C22H20FN5O2 Molecular Weight 405.42
Cross Link CHEMBL474747
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
 

 

27698 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', 'CFAMM00311251'),None, txtsearch, CFAMM00311251|