niraparib (CHEBI:176844)

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ChEBI Name	niraparib

ChEBI ID	CHEBI:176844

Definition	A 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC₅₀ of 3.8 and 2.1 nM, respectively) and approved as a first-line maintenance treatment for women with advanced ovarian cancer after responding to platinum-based chemotherapy.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ceara Rea

Supplier Information

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Formula

C19H20N4O

Net Charge

Average Mass

320.396

Monoisotopic Mass

320.16371

InChI

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

InChIKey

PCHKPVIQAHNQLW-CQSZACIVSA-N

SMILES

[H][C@]1(CCCNC1)C1=CC=C(C=C1)N1C=C2C=CC=C(C(N)=O)C2=N1

Roles Classification
Biological Role(s):	EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of a NAD+ ADP-ribosyltransferase (EC 2.4.2.30). (via 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide ) apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. (via 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide ) radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy.

ChEBI Ontology
Outgoing	niraparib (CHEBI:176844) has role antineoplastic agent (CHEBI:35610) niraparib (CHEBI:176844) has role apoptosis inducer (CHEBI:68495) niraparib (CHEBI:176844) has role EC 2.4.2.30 (NAD⁺ ADP-ribosyltransferase) inhibitor (CHEBI:62913) niraparib (CHEBI:176844) has role radiosensitizing agent (CHEBI:132992) niraparib (CHEBI:176844) is a 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide (CHEBI:177298)

IUPAC Name

2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide

Synonyms	Sources
2-[4-(3S)-3-piperidinylphenyl]-2H-indazole-7-carboxamide	ChEBI
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide	ChEBI
MK 4827	ChemIDplus
MK-4827	SUBMITTER
MK4827	ChEBI

Brand Name	Source
Zejula	DrugBank

Registry Number	Type	Source
1038915-60-4	CAS Registry Number	ChemIDplus

Last Modified

06 August 2021