PF-04691502

Ligand id: 7936

Name: PF-04691502

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 123.69
Molecular weight 425.21
XLogP 1.59
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-8-[trans-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Synonyms
PF 04691502
Database Links
CAS Registry No. 1013101-36-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1234354
PubChem CID 25033539
RCSB PDB Ligand ML9
Search Google for chemical match using the InChIKey XDLYKKIQACFMJG-WKILWMFISA-N
Search Google for chemicals with the same backbone XDLYKKIQACFMJG
Search UniChem for chemical match using the InChIKey XDLYKKIQACFMJG-WKILWMFISA-N
Search UniChem for chemicals with the same backbone XDLYKKIQACFMJG
SynPHARM 80835 (in complex with phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha)
Comments
PF-04691502 is an ATP-competitive PI3K/mTOR kinase inhibitor. The discovery and structure of PF-04691502 is reported in [1]. PubChem CID 25033539 shows the chemical structure without stereochemistry.