CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00385560" 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 CFAMM00385560
Family CFFBM8108 5-hydroxytryptamine receptor 1A ligand AGN-PC-0A9RI2 family
Superfamily CFSBM4009 Trypsin-1 and Trypsin-2 Binder Superfamily
Class CFCBM928 Class 3978
External ID CHEMBL1784930 External Source CHEMBL
PubChem CID 54585356 Functional Category Bioactive
Molecule Name AGN-PC-0A9TF1
IUPAC Name 5-(dimethylamino)-N-[4-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]butyl]naphthalene-1-sulfonamide
Synonyms CHEBI:1251612;5-(dimethylamino)-N-[4-[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-7a-yl]butyl]naphthalene-1-sulfonamide
InChi InChI=1S/C37H50N6O5S/c1-39(2)31-16-10-14-30-29(31)13-11-18-34(30)49(46,47)38-21-7-6-19-37-20-12-24-43(37)36(45)42(35(37)44)23-9-8-22-40-25-27-41(28-26-40)32-15-4-5-17-33(32)48-3/h4-5,10-11,13-18,38H,6-9,12,19-28H2,1-3H3
InChiKey BWDRIKYJGWEAGX-UHFFFAOYSA-N
Formula C37H50N6O5S Molecular Weight 690.90
Cross Link CHEMBL1784930
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
 

 

27627 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', 'CFAMM00385560'),None, txtsearch, CFAMM00385560|