CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00445930" 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 CFAMM00445930
Family CFFBM18130 Sodium-dependent dopamine transporter inhibitor 2-(4-aminophenyl)ethyl (1R,3S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate family
Superfamily CFSID393 Type-1 angiotensin II receptor Ligand RTI-76 Superfamily
Class CFCAD367 Class 367
External ID CHEMBL607091 External Source CHEMBL
PubChem CID 46877834 Functional Category Bioactive
Molecule Name 2-(4-amino-3-iodophenyl)ethyl (1R,3S,4S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
IUPAC Name 2-(4-amino-3-iodophenyl)ethyl (1R,3S,4S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Synonyms
InChi InChI=1S/C23H26ClIN2O2/c1-27-17-7-9-21(27)22(18(13-17)15-3-5-16(24)6-4-15)23(28)29-11-10-14-2-8-20(26)19(25)12-14/h2-6,8,12,17-18,21-22H,7,9-11,13,26H2,1H3/t17-,18-,21?,22+/m1/s1
InChiKey QFSPRCFKRIHDRH-UWYYDENCSA-N
Formula C23H26ClIN2O2 Molecular Weight 524.82
Cross Link CHEMBL607091
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
 

 

48692 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', 'CFAMM00445930'),None, txtsearch, CFAMM00445930|