CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00395281" 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 CFAMM00395281
Family CFFBM9422 Delta-type opioid receptor and Mu-type opioid receptor ligand (4-methylpiperazin-1-yl)-[4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]phenyl]methanone family
Superfamily CFSBM4392 Metabotropic glutamate receptor 1 and Metabotropic glutamate receptor 5 Binder Superfamily
Class CFCBM745 Class 3795
External ID CHEMBL255857 External Source CHEMBL
PubChem CID 10186910 Functional Category Bioactive
Molecule Name SureCN3840733
IUPAC Name (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-[N-[(2-methyl-1,3-thiazol-4-yl)methyl]anilino]piperidin-1-yl]piperidin-1-yl]methanone
Synonyms CHEBI:524431
InChi InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3
InChiKey DNXMKFAIRKHJIZ-UHFFFAOYSA-N
Formula C30H39N5O2S Molecular Weight 533.73
Cross Link CHEMBL255857
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
 

 

27266 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', 'CFAMM00395281'),None, txtsearch, CFAMM00395281|