CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00373323" 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 CFAMM00373323
Family CFFBM6526 Methionine--tRNA ligase inhibitor 2-[3-[(5-bromo-2-ethoxy-3-methylphenyl)methylamino]propylamino]-1H-quinolin-4-one family
Superfamily CFSBM3745 Methionine--tRNA ligase and Methionine--tRNA ligase, cytoplasmic Binder Superfamily
Class CFCBM1397 Class 4447
External ID CHEMBL348350 External Source CHEMBL
PubChem CID 44373382 Functional Category Bioactive
Molecule Name 2-[3-[(3-bromo-2-ethoxy-5-methylsulfonylphenyl)methylamino]propylamino]-1H-quinolin-4-one
IUPAC Name 2-[3-[(3-bromo-2-ethoxy-5-methylsulfonylphenyl)methylamino]propylamino]-1H-quinolin-4-one
Synonyms CHEBI:364937
InChi InChI=1S/C22H26BrN3O4S/c1-3-30-22-15(11-16(12-18(22)23)31(2,28)29)14-24-9-6-10-25-21-13-20(27)17-7-4-5-8-19(17)26-21/h4-5,7-8,11-13,24H,3,6,9-10,14H2,1-2H3,(H2,25,26,27)
InChiKey QIUUTRLVASLLAJ-UHFFFAOYSA-N
Formula C22H26BrN3O4S Molecular Weight 508.43
Cross Link CHEMBL348350
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
 

 

27627 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', 'CFAMM00373323'),None, txtsearch, CFAMM00373323|