AZ12419304

Ligand id: 7734

Name: AZ12419304

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 74.33
Molecular weight 453.14
XLogP 4.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide
Synonyms
AZ 12419304 | AZ-12419304
Database Links
PubChem CID 16750158
Search Google for chemical match using the InChIKey QOTCLGLPFWDADD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QOTCLGLPFWDADD
Search UniChem for chemical match using the InChIKey QOTCLGLPFWDADD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QOTCLGLPFWDADD
Comments
From patent searching it looks likely that this compound is Example 9 from patent WO2007113558 A2, which gives affinity data in line with that provided on the compound's page in AstaZeneca's Open Innovation Pharmacology Toolbox [1]. Converting the chemical name (4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]-N-[2-(trifluoromethyl)pyridin-4-yl]benzamide) to smiles leads to PubChem CID 16750158. This is the structure we show here.