Compound: Niraparib
SMILES: O=C(N)c1c2nn(-c3ccc([C@H]4CNCCC4)cc3)cc2ccc1
InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N
Synonyms: Niraparib, 1038915-60-4, MK4827, 2-{4-[(3s)-piperidin-3-yl]phenyl}-2h-indazole-7-carboxamide, 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide, HMC2H89N35, ZL-2306, JNJ-64091742, CHEBI:176844, DTXSID50146129, niraparibum, 2-(4-((3S)-piperidin-3-yl)phenyl)indazole-7-carboxamide, 2-(4-((3S)-PIPERIDIN-3-YL)PHENYL)-2H-INDAZOLE-7-CARBOXAMIDE, RefChem:57941, DTXCID8068620, L01XX54, 685-112-3, MK-4827, (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide, MFCD17779309, 2-[4-(3S)-3-Piperidinylphenyl]-2H-indazole-7-carboxamide, Niraparib [USAN], C19H20N4O, MK-4827 (Niraparib), CHEMBL1094636, Niraparib (USAN), 2-[4-[(3S)-3-Piperidyl]phenyl]indazole-7-carboxamide, Niraparib [USAN:INN], UNII-HMC2H89N35, MK 4827 (Base), 3JD, Niraparib (Standard), NIRAPARIB [INN], NIRAPARIB [MI], MK-4827(Niraparib), NIRAPARIB [WHO-DD], GTPL8275, orb1304399, orb3141361, SCHEMBL1421875, (S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide;MK-4827, Niraparib(MK4827) free base?, EX-A290, GLXC-90531, MK-4827 (PARP-1), BDBM50316226, EBC-17059, HY-10619R, MSK168159, NSC754355, NSC800020, s2741, AKOS016004869, CCG-267709, compound 56 [PMID 19873981], CS-0780, DB11793, FP35532, NSC-754355, NSC-800020, NCGC00346435-01, NCGC00346435-04, NCGC00346435-12, NCGC00346435-13, AC-28447, AS-35248, BP-44033, HY-10619, SY105306, Akeega (niraparib and abiraterone acetate), 5129B, 5142B, NS00072574, D10140, EN300-7364833, F227536, BRD-K54955827-001-01-4, BRD-K54955827-001-02-2, Q25326660, (S)-2(4-(Piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide, 2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl], 2H-INDAZOLE-7-CARBOXAMIDE, 2-(4-(3S)-3-PIPERIDINYLPHENYL)-
Theoretical properties:
molecular_formula: C19H20N4O
molecular_weight: 320.4 g/mol
exact_mass: 320.16371127 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 24
topological_polar_surface_area: 72.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Niraparib is 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. It has a role as a radiosensitizing agent, an antineoplastic agent, an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor and an apoptosis inducer.
chebi: A 2-[4-(piperidin-3-yl)phenyl]-2<em>H</em>-indazole-7-carboxamide that has <i>S</i>-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC<small><sub>50</sub></small> 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.
chembl: NIRAPARIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Niraparib, sold under the brand name Zejula, is an anti-cancer medication used for the treatment of epithelial ovarian, fallopian tube, or primary peritoneal cancer. It is taken by mouth. It is a PARP inhibitor.
The most common side effects include nausea (feeling sick), thrombocytopenia (low blood platelet counts), tiredness and weakness, anemia (low red blood cell counts), constipation, vomiting, abdominal (belly) pain, neutropenia (low levels of neutrophils, a type of white blood cell), insomnia (difficulty sleeping), headache, lack of appetite, diarrhea, dyspnea (difficulty breathing), hypertension (high blood pressure), back pain, dizziness, cough, joint pain, hot flushes and decrease in white blood cells.
Niraparib was approved for medical use in the United States and in the European Union in 2017.