CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00423774" 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 CFAMM00423774
Family CFFBM13709 Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor ligand SureCN13986092 family
Superfamily CFSBM6139 Alpha-1D adrenergic receptor and Alpha-1A adrenergic receptor Binder Superfamily 7
Class CFCID108 Class 1458
External ID CHEMBL243692 External Source CHEMBL
PubChem CID 44431174 Functional Category Bioactive
Molecule Name SureCN13986092
IUPAC Name 5,6-dichloro-2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]isoindole-1,3-dione
Synonyms AGN-PC-0769FP;CHEBI:495325;5,6-dichloro-2-[4-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]cyclohexyl]isoindole-1,3-dione
InChi InChI=1S/C27H31Cl2N3O3/c1-17(2)35-25-6-4-3-5-24(25)31-13-11-30(12-14-31)18-7-9-19(10-8-18)32-26(33)20-15-22(28)23(29)16-21(20)27(32)34/h3-6,15-19H,7-14H2,1-2H3
InChiKey ZQQZHUBFRBFZEF-UHFFFAOYSA-N
Formula C27H31Cl2N3O3 Molecular Weight 516.46
Cross Link CHEMBL243692
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
 

 

27256 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', 'CFAMM00423774'),None, txtsearch, CFAMM00423774|