PF-04691502   Click here for help

GtoPdb Ligand ID: 7936

Synonyms: PF 04691502 | PF04691502
PDB Ligand
Compound class: Synthetic organic
Comment: PF-04691502 is an ATP-competitive dual PI3K/mTOR inhibitor. The discovery and structure of PF-04691502 is reported in [1]. PubChem CID 25033539 shows the chemical structure without stereochemistry.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 125.38
Molecular weight 425.21
XLogP 2.52
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCCOC1CCC(CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC
Isomeric SMILES OCCO[C@@H]1CC[C@H](CC1)n1c(=O)c(cc2c1nc(N)nc2C)c1ccc(nc1)OC
InChI InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)/t15-,16-
No information available.
Summary of Clinical Use Click here for help
Phase 2 clinical trials assessing PF-04691502 for breast and endometrial neoplasms have been withdrawn or terminated. As of October 2018 has no record of active PF-04691502 studies.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
Activation of the PI3K/mTOR pathway promotes cell growth, survival, and resistance to chemotherapy and radiotherapy. Inhibition of PI3K and mTOR kinases may result in apoptosis and growth inhibition of cancer cells overexpressing PI3K/mTOR.