CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00362698" 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 CFAMM00362698
Family CFFBM5261 Gamma-aminobutyric acid receptor subunit pi and GABA theta subunit ligand SureCN9001316 family
Superfamily CFSBM2014 Beta-lactamase and GABA theta subunit Binder Superfamily
Class CFCBM380 Class 3430
External ID CHEMBL578664 External Source CHEMBL
PubChem CID 45483769 Functional Category Bioactive
Molecule Name 2-N-(4-aminocyclohexyl)-6-N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
IUPAC Name 2-N-(4-aminocyclohexyl)-6-N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
Synonyms AGN-PC-07COW2;2-N-(4-aminocyclohexyl)-6-N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine;hydrochloride
InChi InChI=1S/C26H33N7S.ClH/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-20-9-7-19(27)8-10-20)28-14-21-11-12-22(34-21)18-6-4-5-17(3)13-18;/h4-6,11-13,15-16,19-20H,7-10,14,27H2,1-3H3,(H2,28,30,31,32);1H/t19-,20-;
InChiKey WNJUDDFSUKFDFL-APKPHLMVSA-N
Formula C26H34ClN7S Molecular Weight 512.11
Cross Link CHEMBL578664
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
 

 

27278 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', 'CFAMM00362698'),None, txtsearch, CFAMM00362698|