PKCθ inhibitor 14

Ligand id: 9452

Name: PKCθ inhibitor 14

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 77.57
Molecular weight 413.19
XLogP 5.59
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,2-dimethyl-7-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)-1-[(1R)-1-phenylethyl]-3H-quinazolin-4-one
Synonyms
compound 14 [PMID: 27117263]
Database Links
PubChem CID 91933875
Search Google for chemical match using the InChIKey WNYKGJHEQVIFGL-OAHLLOKOSA-N
Search Google for chemicals with the same backbone WNYKGJHEQVIFGL
Search UniChem for chemical match using the InChIKey WNYKGJHEQVIFGL-OAHLLOKOSA-N
Search UniChem for chemicals with the same backbone WNYKGJHEQVIFGL
Comments
PKCθ inhibitor 14 was developed using structure-based drug design [1]. The compound is described as being selective for PKCθ, over other kinases, including related PKC isoforms.