CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00437127" 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 CFAMM00437127
Family CFFBM16130 Sodium-dependent dopamine transporter and Sodium-dependent serotonin transporter inhibitor 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(4-methoxyphenyl)methyl]piperidine family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID CHEMBL160246 External Source CHEMBL
PubChem CID 44371753 Functional Category Bioactive
Molecule Name AGN-PC-075UVZ
IUPAC Name 4-[[3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenol
Synonyms CHEBI:361930;4-[[3-[2-[bis(4-fluorophenyl)methoxy]ethyl]-8-azabicyclo[3.2.1]octan-8-yl]methyl]phenol
InChi InChI=1S/C29H31F2NO2/c30-24-7-3-22(4-8-24)29(23-5-9-25(31)10-6-23)34-16-15-21-17-26-11-12-27(18-21)32(26)19-20-1-13-28(33)14-2-20/h1-10,13-14,21,26-27,29,33H,11-12,15-19H2
InChiKey KSUJISICQSCQHS-UHFFFAOYSA-N
Formula C29H31F2NO2 Molecular Weight 463.56
Cross Link CHEMBL160246
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
 

 

27285 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', 'CFAMM00437127'),None, txtsearch, CFAMM00437127|