CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00301673" 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 CFAMM00301673
Family CFFID4038 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(3-methylthiopene)methylphenidate Family
Superfamily CFSID2737 Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(3-methylthiopene)methylphenidate Superfamily
Class CFCID1624 Class 2974
External ID CHEMBL180918 External Source CHEMBL
PubChem CID 44389368 Functional Category Bioactive
Molecule Name AGN-PC-075C5X
IUPAC Name methyl 3-[4-(5-bromothiophen-2-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms CHEBI:400726;methyl 3-[4-(5-bromothiophen-2-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
InChi InChI=1S/C20H22BrNO2S/c1-22-14-7-8-16(22)19(20(23)24-2)15(11-14)12-3-5-13(6-4-12)17-9-10-18(21)25-17/h3-6,9-10,14-16,19H,7-8,11H2,1-2H3
InChiKey LUFCSMMNKWCPJV-UHFFFAOYSA-N
Formula C20H22BrNO2S Molecular Weight 420.36
Cross Link CHEMBL180918
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
 

 

107144 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', 'CFAMM00301673'),None, txtsearch, CFAMM00301673|