CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00246172" 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 CFAMM00246172
Family CFFID1683 Adenosine receptor A3 and Dual specificity mitogen-activated protein kinase kinase 1 Inhibitor Reversine Family
Superfamily CFSCD730 C-Jun N-terminal kinase Inhibitor CC-930 Superfamily
Class CFCCD520 Class 1333
External ID CHEMBL446698 External Source CHEMBL
PubChem CID 44397776 Functional Category Bioactive
Molecule Name AGN-PC-009MJP
IUPAC Name 6-N-(3-bicyclo[2.2.1]heptanyl)-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
Synonyms CHEBI:415718;6-N-[(1S,3S,4R)-3-bicyclo[2.2.1]heptanyl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
InChi InChI=1S/C22H27N7O/c1-2-15-11-14(1)12-18(15)26-21-19-20(24-13-23-19)27-22(28-21)25-16-3-5-17(6-4-16)29-7-9-30-10-8-29/h3-6,13-15,18H,1-2,7-12H2,(H3,23,24,25,26,27,28)
InChiKey TYCRGJHWMDJLCO-UHFFFAOYSA-N
Formula C22H27N7O Molecular Weight 405.50
Cross Link CHEMBL446698
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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