General
Preferred name
MK-4827 (hydrochloride)
Synonyms
MK-4827 hydrochloride ()
Niraparib (hydrochloride) ()
Niraparib hydrochloride ()
NiraparibMK-4827 (PARP-1)MK-4827 (PARP-1)MK-4827, HCl saltMK-4827, HCLCT-MK4827NiraparibCT-MK4827NIRAPARIB2H-Indazole-7-carboxamide, 2-[4-(3S)-3-piperidinylphenyl] ()
P&D ID
PD063485
CAS
1038915-64-8
1038915-60-4
Tags
available
drug
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Niraparib hydrochloride (MK-4827 hydrochloride) is a highly potent and orally bioavailable PARP1 and PARP2 inhibitor with IC50s of 3.8 and 2.1 nM, respectively. Niraparib hydrochloride leads to inhibition of repair of DNA damage, activates apoptosis and shows anti-tumor activity[1][2][3].
PRICE 65
DESCRIPTION Niraparib hydrochloride (MK-4827 hydrochloride) is an inhibitor of poly (ADP-ribose) polymerase (PARP) with potential antineoplastic activity. By inhibiting PARP activity, niraparib hydrochloride increases DNA strand breaks, leading to genomic instability and apoptosis. The PARP family of proteins detects and repairs single-strand DNA breaks via the base-excision repair (BER) pathway. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-10619A
NIH Approved Oncology Drugs
440804052
TargetMol Bioactive Compound Library
T3353
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
356.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
3.01
TPSA
72.94
Fraction CSP3
0.26
Chiral centers
1.0
Largest ring
6.0
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
PARP
PARP1
PARP2
PARP3
TANK-1
V-PARP
Pathway
Cell Cycle/DNA Damage
Epigenetics
Chromatin/Epigenetic
DNA Damage/DNA Repair
Source data