PT2385   Click here for help

GtoPdb Ligand ID: 12707

Synonyms: MK-3795 | MK3795 | PT-2385
PDB Ligand
Compound class: Synthetic organic
Comment: PT2385 is a small-molecule antagonist of HIF2α that was designed for antitumour activity [1,3-5]. The molecule binds to an allosteric site on HIF2α and blocks its interaction with its dimerisation partner ARNT (aryl hydrocarbon receptor nuclear translocator, a.k.a. HIF1β). This action inhibits expression of HIF2α-dependent genes (e.g., VEGFA, PAI-1, and cyclin D1) in renal cancer models (cell lines and xenografts).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 95.77
Molecular weight 383.34
XLogP 0.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CS(=O)(=O)C1=CC=C(C2=C1[C@@H](C(C2)(F)F)O)OC3=CC(=CC(=C3)C#N)F
Isomeric SMILES FC1=CC(OC2=C3C([C@H](O)C(F)(F)C3)=C(S(=O)(C)=O)C=C2)=CC(C#N)=C1
InChI InChI=1S/C17H12F3NO4S/c1-26(23,24)14-3-2-13(12-7-17(19,20)16(22)15(12)14)25-11-5-9(8-21)4-10(18)6-11/h2-6,16,22H,7H2,1H3/t16-/m0/s1
InChI Key ONBSHRSJOPSEGS-INIZCTEOSA-N
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Summary of Clinical Use Click here for help
PT2385 was advanced to clinical evaluations in patients with renal cell carcinomas or glioblastoma.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03216499 HIF-2 Alpha Inhibitor PT2385 in Treating Patients With Recurrent Glioblastoma Phase 2 Interventional Sidney Kimmel Comprehensive Cancer Center at Johns Hopkins
NCT02293980 A Phase 1, Dose-Escalation Trial of PT2385 Tablets In Patients With Advanced Clear Cell Renal Cell Carcinoma (MK-3795-001) Phase 1 Interventional Peloton Therapeutics, Inc. 2