CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00325376" 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 CFAMM00325376
Family CFFBM1585 Muscarinic acetylcholine receptor M2 ligand [4-[(3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone family
Superfamily CFSBM478 Muscarinic acetylcholine receptor M2 Binder Superfamily
Class CFCBM185 Class 3235
External ID CHEMBL170033 External Source CHEMBL
PubChem CID 9851621 Functional Category Bioactive
Molecule Name [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
IUPAC Name [4-[4-[4-(1,3-benzodioxol-5-ylsulfonyl)phenoxy]piperidin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone
Synonyms CHEBI:385946
InChi InChI=1S/C34H34N2O6S/c37-34(31-7-3-5-24-4-1-2-6-30(24)31)36-18-14-25(15-19-36)35-20-16-27(17-21-35)42-26-8-10-28(11-9-26)43(38,39)29-12-13-32-33(22-29)41-23-40-32/h1-13,22,25,27H,14-21,23H2
InChiKey ZQKNWAOHEDTKOE-UHFFFAOYSA-N
Formula C34H34N2O6S Molecular Weight 598.71
Cross Link CHEMBL170033
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
 

 

27522 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', 'CFAMM00325376'),None, txtsearch, CFAMM00325376|