PT-2385
3-[[(1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
Molecular Identity
PT-2385
3-[[(1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile
PubChem CID: 91754484
PT-2385 is a selective HIF-2a inhibitor with a Ki of less than 50 nM.
2D Structure
Properties
C17H12F3NO4S
Molecular Formula
383.30
Molecular Weight
g/mol
383.0439
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
95.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
686
Complexity
SMILES
Canonical SMILES
SMILES: CS(=O)(=O)C1=C2C(C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)OIsomeric SMILES
SMILES: CS(=O)(=O)C1=C2[C@@H](C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)OSynonyms(20)
PT-23851672665-49-4PT23856O16716DXP3-[[(1S)-2,2-Difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl]oxy]-5-fluorobenzonitrile3-(((1S)-2,2-Difluoro-1-hydroxy-7-methanesulfonyl-2,3-dihydro-1hinden-4-yl)oxy)-5-fluorobenzonitrileBenzonitrile, 3-(((1S)-2,2-difluoro-2,3-dihydro-1-hydroxy-7-(methylsulfonyl)-1H-inden-4-yl)oxy)-5-fluoro-3-(((1S)-2,2-difluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl)oxy)-5-fluorobenzonitrileRefChem:177078(s)-3-((2,2-difluoro-1-hydroxy-7-(methylsulfonyl)-2,3-dihydro-1h-inden-4-yl)oxy)-5-fluorobenzonitrile3-{[(1s)-2,2-Difluoro-1-Hydroxy-7-(Methylsulfonyl)-2,3-Dihydro-1h-Inden-4-Yl]oxy}-5-FluorobenzonitrileSCHEMBL16555810BDBM373008EX-A2855MK3795
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to PT-2385
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