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Details

Stereochemistry ACHIRAL
Molecular Formula C20H24F3N3O2
Molecular Weight 395.4187
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NMS-P118

SMILES

NC(=O)C1=CC(F)=CC2=C1C(=O)N(C2)C3CCN(CC3)C4CCC(F)(F)CC4

InChI

InChIKey=ARYVAQSYRLZVQD-UHFFFAOYSA-N
InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)

HIDE SMILES / InChI

Molecular Formula C20H24F3N3O2
Molecular Weight 395.4187
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P09874
Gene ID: 142.0
Gene Symbol: PARP1
Target Organism: Homo sapiens (Human)
9.0 nM [Kd]
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:57:38 GMT 2023
Edited
by admin
on Sat Dec 16 15:57:38 GMT 2023
Record UNII
9TSU9SA6UZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NMS-P118
Code English
NMS P118
Code English
1H-ISOINDOLE-4-CARBOXAMIDE, 2-(1-(4,4-DIFLUOROCYCLOHEXYL)-4-PIPERIDINYL)-6-FLUORO-2,3-DIHYDRO-3-OXO-
Systematic Name English
Code System Code Type Description
CAS
1262417-51-5
Created by admin on Sat Dec 16 15:57:38 GMT 2023 , Edited by admin on Sat Dec 16 15:57:38 GMT 2023
PRIMARY
PUBCHEM
49843531
Created by admin on Sat Dec 16 15:57:38 GMT 2023 , Edited by admin on Sat Dec 16 15:57:38 GMT 2023
PRIMARY
FDA UNII
9TSU9SA6UZ
Created by admin on Sat Dec 16 15:57:38 GMT 2023 , Edited by admin on Sat Dec 16 15:57:38 GMT 2023
PRIMARY
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