BMS-833923

Ligand id: 8202

Name: BMS-833923

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 78.94
Molecular weight 473.22
XLogP 8.04
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-methyl-5-(methylaminomethyl)phenyl]-4-[(4-phenylquinazolin-2-yl)amino]benzamide
Synonyms
BMS 833923 | BMS833923 | XL 139 | XL-139 | XL139
Database Links
CAS Registry No. 1059734-66-5
PubChem CID 57662985
Search Google for chemical match using the InChIKey KLRRGBHZCJLIEL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KLRRGBHZCJLIEL
Search UniChem for chemical match using the InChIKey KLRRGBHZCJLIEL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KLRRGBHZCJLIEL
Comments
BMS-833923 is a high affinity antagonist of the class frizzled GPCR, smoothened (SMO) [1,3]. BMS-833923 is compound 163 in patent US8222263 [2].