CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00264345" 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 CFAMM00264345
Family CFFID2285 C-X-C chemokine receptor type 3 Ligand AMG-487 Family
Superfamily CFSCD587 Smoothened homolog Inhibitor LDE225 Superfamily
Class CFCCD350 Class 1163
External ID CHEMBL103946 External Source CHEMBL
PubChem CID 470685 Functional Category Bioactive
Molecule Name AC1LALJV
IUPAC Name 3-[(2-chloro-11-ethyl-5-methyl-6-oxodipyrido[2,4-d:2',3'-h][1,4]diazepin-8-yl)methoxy]benzoic acid
Synonyms CTK6E9350;AG-K-23884;2,8-disubstituted dipyridodiazepinone 18;3-[(2-chloro-11-ethyl-5-methyl-6-oxo-6,11-dihydro-5h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-8-yl)methoxy]benzoic acid;8-(3-(Carboxy)phenyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
InChi InChI=1S/C22H19ClN4O4/c1-3-27-19-16(21(28)26(2)17-7-8-18(23)25-20(17)27)9-13(11-24-19)12-31-15-6-4-5-14(10-15)22(29)30/h4-11H,3,12H2,1-2H3,(H,29,30)
InChiKey LWTPUALMLDLRFE-UHFFFAOYSA-N
Formula C22H19ClN4O4 Molecular Weight 438.86
Cross Link CHEMBL103946
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
 

 

26390 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', 'CFAMM00264345'),None, txtsearch, CFAMM00264345|