CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00012863" 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 CFAMM00012863
Family CFFAD65 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide family
Superfamily CFSAD64 D(2) dopamine receptor and D(1A) dopamine receptor ligand ergoline derivative Pergolide Superfamily
Class CFCAD64 Class 64
External ID CHEMBL364846 External Source CHEMBL
PubChem CID 11316750 Functional Category Bioactive
Molecule Name AGN-PC-006NGP
IUPAC Name 4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,2-dicarbonitrile
Synonyms CHEBI:412947;4-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]benzene-1,2-dicarbonitrile
InChi InChI=1S/C25H24N6/c26-15-19-4-7-25-24(13-19)21(18-29-25)3-1-2-8-30-9-11-31(12-10-30)23-6-5-20(16-27)22(14-23)17-28/h4-7,13-14,18,29H,1-3,8-12H2
InChiKey VYTXYADVWWRQGH-UHFFFAOYSA-N
Formula C25H24N6 Molecular Weight 408.50
Cross Link CHEMBL364846
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
 

 

26818 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', 'CFAMM00012863'),None, txtsearch, CFAMM00012863|