CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00393009" 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 CFAMM00393009
Family CFFBM9102 NS5B protein inhibitor AC1NQMYP family
Superfamily CFSBM948 NS5B protein and Retinoic acid receptor alpha Binder Superfamily
Class CFCBM330 Class 3380
External ID CHEMBL362909 External Source CHEMBL
PubChem CID 6480934 Functional Category Bioactive
Molecule Name AC1O5AEZ
IUPAC Name 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
Synonyms SureCN172187;CHEBI:417959;1H-Indole-6-carboxylic acid, 2-(4-chlorophenyl)-3-cyclohexyl-1-[2-[4-(diethylamino)-1-piperidinyl]-2-oxoethyl]-;2-(4-chlorophenyl)-3-cyclohexyl-1-[2-[4-(diethylamino)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
InChi InChI=1S/C32H40ClN3O3/c1-3-34(4-2)26-16-18-35(19-17-26)29(37)21-36-28-20-24(32(38)39)12-15-27(28)30(22-8-6-5-7-9-22)31(36)23-10-13-25(33)14-11-23/h10-15,20,22,26H,3-9,16-19,21H2,1-2H3,(H,38,39)
InChiKey AFDCDDUWKSMTFV-UHFFFAOYSA-N
Formula C32H40ClN3O3 Molecular Weight 550.13
Cross Link CHEMBL362909
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
 

 

105341 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', 'CFAMM00393009'),None, txtsearch, CFAMM00393009|