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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20N4O
Molecular Weight 320.3883
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NIRAPARIB

SMILES

NC(=O)C1=CC=CC2=CN(N=C12)C3=CC=C(C=C3)[C@@H]4CCCNC4

InChI

InChIKey=PCHKPVIQAHNQLW-CQSZACIVSA-N
InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1

HIDE SMILES / InChI
Molecular Formula C19H20N4O
Molecular Weight 320.3883
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:35:16 UTC 2023
Edited
by admin
on Sat Dec 16 01:35:16 UTC 2023
Record UNII
HMC2H89N35
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NIRAPARIB
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
JNJ-64091742
Code English
NIRAPARIB [MI]
Common Name English
MK-4827
Code English
2-{4-[(3S)-Piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide
Systematic Name English
ZL-2306
Code English
NIRAPARIB [USAN]
Common Name English
2H-INDAZOLE-7-CARBOXAMIDE, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-
Systematic Name English
Niraparib [WHO-DD]
Common Name English
MK4827
Code English
niraparib [INN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000191623
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
FDA ORPHAN DRUG 306510
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
WHO-ATC L01XX54
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
NCI_THESAURUS C62554
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
Code System Code Type Description
MERCK INDEX
m11995
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID50146129
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
NCI_THESAURUS
C80059
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
USAN
YY-23
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
WIKIPEDIA
NIRAPARIB
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
SMS_ID
100000163082
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
FDA UNII
HMC2H89N35
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
PUBCHEM
24958200
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
ChEMBL
CHEMBL1094636
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
DRUG CENTRAL
5222
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
DRUG BANK
DB11793
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
CAS
1038915-60-4
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
RXCUI
1918231
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
CHEBI
176844
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
EVMPD
SUB177208
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
LACTMED
Niraparib
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
DAILYMED
HMC2H89N35
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
INN
9526
Created by admin on Sat Dec 16 01:35:16 UTC 2023 , Edited by admin on Sat Dec 16 01:35:16 UTC 2023
PRIMARY
Related Record Type Details
SODIUM-DEPENDENT DOPAMINE TRANSPORTER
TARGET -> INHIBITOR
SODIUM-DEPENDENT DOPAMINE TRANSPORTER
OFF-TARGET->INHIBITOR
BINDING
IC50
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
Niraparib is a substrate of P-gp and BCRP in vitro.
ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2
TRANSPORTER -> SUBSTRATE
Niraparib is a substrate of P-gp and BCRP in vitro.
Structure of NIRAPARIB
EXCRETED UNCHANGED
AMOUNT EXCRETED
URINE
Structure of NIRAPARIB HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Structure of NIRAPARIB TOSYLATE ANHYDROUS
SALT/SOLVATE -> PARENT
SODIUM-DEPENDENT NORADRENALINE TRANSPORTER
TARGET -> INHIBITOR
POLY (ADP-RIBOSE) POLYMERASE 2
TARGET -> INHIBITOR
IC50
Structure of Niraparib tosylate monohydrate
SALT/SOLVATE -> PARENT
SODIUM-DEPENDENT SEROTONIN TRANSPORTER
TARGET -> INHIBITOR
Structure of NIRAPARIB
EXCRETED UNCHANGED
AMOUNT EXCRETED
FECAL
Related Record Type Details
Structure of 2H-INDAZOLE-7-CARBOXYLIC ACID, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-
METABOLITE INACTIVE -> PARENT
Structure of 2H-INDAZOLE-7-CARBOXYLIC ACID, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-, METHYL ESTER
METABOLITE -> PARENT
FECAL; PLASMA; URINE
Related Record Type Details
Structure of NIRAPARIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

Volume of Distribution PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
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