CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00389928" 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 CFAMM00389928
Family CFFBM8703 Kappa-type opioid receptor ligand N-methyl-N-[(1S)-2-pyrrolidin-1-yl-1-[3-(sulfamoylamino)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide family
Superfamily CFSCD232 Motilin receptor Ligand GSK962040 Superfamily
Class CFCAD252 Class 252
External ID CHEMBL193887 External Source CHEMBL
PubChem CID 49797092 Functional Category Bioactive
Molecule Name N-[4-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]phenyl]phenyl]methanesulfonamide;2,2,2-trifluoroacetic acid
IUPAC Name N-[4-[4-[(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-4-oxobutan-2-yl]phenyl]phenyl]methanesulfonamide;2,2,2-trifluoroacetic acid
Synonyms
InChi InChI=1S/C21H26FN3O3S.C2HF3O2/c1-14(20(23)21(26)25-12-11-18(22)13-25)15-3-5-16(6-4-15)17-7-9-19(10-8-17)24-29(2,27)28;3-2(4,5)1(6)7/h3-10,14,18,20,24H,11-13,23H2,1-2H3;(H,6,7)/t14-,18-,20-;/m0./s1
InChiKey ZUJYERMUJVVLER-HRFCLUMMSA-N
Formula C23H27F4N3O5S Molecular Weight 533.54
Cross Link CHEMBL193887
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
 

 

27619 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', 'CFAMM00389928'),None, txtsearch, CFAMM00389928|