CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00443577" 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 CFAMM00443577
Family CFFBM17607 Beta-3 adrenergic receptor ligand SureCN5704018 family
Superfamily CFSBM3844 Caspase-1 and Cytochrome P450 3A4 Binder Superfamily
Class CFCAD137 Class 137
External ID CHEMBL521406 External Source CHEMBL
PubChem CID 11235459 Functional Category Bioactive
Molecule Name SureCN5704018
IUPAC Name 4-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-2-(2-methylpropyl)benzoic acid
Synonyms CHEBI:547917
InChi InChI=1S/C26H30N2O3/c1-18(2)14-23-15-21(9-10-24(23)26(30)31)20-7-5-19(6-8-20)11-13-28-17-25(29)22-4-3-12-27-16-22/h3-10,12,15-16,18,25,28-29H,11,13-14,17H2,1-2H3,(H,30,31)/t25-/m0/s1
InChiKey RIDJNBLBTJSDHV-VWLOTQADSA-N
Formula C26H30N2O3 Molecular Weight 418.53
Cross Link CHEMBL521406
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
 

 

26851 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', 'CFAMM00443577'),None, txtsearch, CFAMM00443577|