compound 9b [PMID: 18986805]

Ligand id: 8160

Name: compound 9b [PMID: 18986805]

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 84.73
Molecular weight 368.18
XLogP 3.13
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-fluoro-N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
Database Links
BindingDB Ligand 50246396
ChEMBL Ligand CHEMBL455428
GtoPdb PubChem SID 249565840
PubChem CID 11675054
Search Google for chemical match using the InChIKey OCUYCOQPRGFQEV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OCUYCOQPRGFQEV
Search UniChem for chemical match using the InChIKey OCUYCOQPRGFQEV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OCUYCOQPRGFQEV
Comments
Compound 9b is a potent and selective, orally available cyclin-dependent kinase 2 (CDK2) inhibitor [1]. Compound 9b is 50-60 times selective for CDK2 compared to CDKs 1 and 4, has potent anti-proliferative activity and favourable pharmacokinetics.