NIRAPARIB TOSYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 195Q483UZD
Parent Compound: NIRAPARIB

Structure
InChI Key ACNPUCQQZDAPJH-FMOMHUKBSA-N
Smile Cc1ccc(S(=O)(=O)O)cc1.NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.O
InChI
InChI=1S/C19H20N4O.C7H8O3S.H2O/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;1-6-2-4-7(5-3-6)11(8,9)10;/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24);2-5H,1H3,(H,8,9,10);1H2/t14-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30N4O5S
Molecular Weight 510.62
AlogP 2.59
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 72.94
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Poly [ADP-ribose] polymerase-1 inhibitor PubMed FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ovarian Neoplasms 4 D010051 FDA
Fallopian Tube Neoplasms 4 D005185 FDA
Peritoneal Neoplasms 4 D010534 FDA

Related Entries

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Investigations
15.83
Gastrointestinal disorders
14.98
General disorders and administration site conditions
13.11
Nervous system disorders
9.12
Psychiatric disorders
6.89
Musculoskeletal and connective tissue disorders
4.93
Respiratory, thoracic and mediastinal disorders
4.93
Injury, poisoning and procedural complications
4.48
Skin and subcutaneous tissue disorders
4.1
Vascular disorders
4.06
Cardiac disorders
3.52
Metabolism and nutrition disorders
2.58
Blood and lymphatic system disorders
2.38
Infections and infestations
2.17

Cross References

Resources Reference
ChEMBL CHEMBL3989922
FDA SRS 195Q483UZD
PubChem 78357761
SureChEMBL SCHEMBL3740686
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