niraparib (CHEBI:176844)

CHEBI:176844 - niraparib

ChEBI ID	CHEBI:176844
ChEBI Name	niraparib
Stars
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.
Last Modified	6 August 2021
Submitter	Ceara
Downloads	Molfile

Formula	C19H20N4O
Net Charge	0
Average Mass	320.396
Monoisotopic Mass	320.16371
SMILES	[H][C@@]1(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CCCNC1
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

Wikipedia

Roles Classification

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).

apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.

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).

radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
MK-4827	SUBMITTER
MK 4827	ChemIDplus
2-[4-(3S)-3-piperidinylphenyl]-2H-indazole-7-carboxamide	ChEBI
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide	ChEBI
MK4827	ChEBI

Brand Name	Source
Zejula	DrugBank

Registry Numbers	Sources
CAS:1038915-60-4	ChemIDplus

Citations