CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00426859" 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 CFAMM00426859
Family CFFBM14184 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor ligand 4-[4-[2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid family
Superfamily CFSBM6260 Beta-3 adrenergic receptor and Beta-1 adrenergic receptor Binder Superfamily 3
Class CFCID940 Class 2290
External ID CHEMBL456352 External Source CHEMBL
PubChem CID 24950059 Functional Category Bioactive
Molecule Name 3-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-5-methoxybenzoic acid
IUPAC Name 3-[[(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-5-methoxybenzoic acid
Synonyms CHEBI:611866
InChi InChI=1S/C26H26ClNO5/c1-32-23-12-19(26(30)31)13-24(14-23)33-22-8-6-16-5-7-21(10-18(16)11-22)28-15-25(29)17-3-2-4-20(27)9-17/h2-4,6,8-9,11-14,21,25,28-29H,5,7,10,15H2,1H3,(H,30,31)/t21-,25-/m0/s1
InChiKey HELINHYFLXXSFF-OFVILXPXSA-N
Formula C26H26ClNO5 Molecular Weight 467.94
Cross Link CHEMBL456352
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
 

 

82384 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', 'CFAMM00426859'),None, txtsearch, CFAMM00426859|