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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H12F3NO4S
Molecular Weight 383.342
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PT-2385

SMILES

CS(=O)(=O)C1=C2[C@H](O)C(F)(F)CC2=C(OC3=CC(=CC(F)=C3)C#N)C=C1

InChI

InChIKey=ONBSHRSJOPSEGS-INIZCTEOSA-N
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

HIDE SMILES / InChI

Molecular Formula C17H12F3NO4S
Molecular Weight 383.342
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: Q99814
Gene ID: 2034.0
Gene Symbol: EPAS1
Target Organism: Homo sapiens (Human)
50.0 nM [Kd]
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:23:46 UTC 2023
Edited
by admin
on Sat Dec 16 09:23:46 UTC 2023
Record UNII
6O16716DXP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PT-2385
Code English
3-(((1S)-2,2-DIFLUORO-1-HYDROXY-7-METHANESULFONYL-2,3-DIHYDRO-1HINDEN-4-YL)OXY)-5-FLUOROBENZONITRILE
Systematic Name English
BENZONITRILE, 3-(((1S)-2,2-DIFLUORO-2,3-DIHYDRO-1-HYDROXY-7-(METHYLSULFONYL)-1H-INDEN-4-YL)OXY)-5-FLUORO-
Systematic Name English
Code System Code Type Description
CAS
1672665-49-4
Created by admin on Sat Dec 16 09:23:46 UTC 2023 , Edited by admin on Sat Dec 16 09:23:46 UTC 2023
PRIMARY
FDA UNII
6O16716DXP
Created by admin on Sat Dec 16 09:23:46 UTC 2023 , Edited by admin on Sat Dec 16 09:23:46 UTC 2023
PRIMARY
PUBCHEM
91754484
Created by admin on Sat Dec 16 09:23:46 UTC 2023 , Edited by admin on Sat Dec 16 09:23:46 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY