Compound Detail
CHEMBL1094636
NIRAPARIB 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1094636 |
| Name | NIRAPARIB |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | PCHKPVIQAHNQLW-CQSZACIVSA-N |
| Therapeutic | ✓ Yes |
28
Targets
91
Activities
4
Assay Types
18
PK Parameters
20
Publications
6
Known Names
20
Indications
2
Mechanisms
Molecular Properties
320.4
MW (Da)
2.59
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2017 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 2 inhibitor | INHIBITOR | Poly [ADP-ribose] polymerase 2 | ✓ | ✓ |
| Poly [ADP-ribose] polymerase-1 inhibitor | INHIBITOR | Poly [ADP-ribose] polymerase 1 | ✓ | ✓ |
Indications
Neoplasms Neoplasms Biliary Tract Neoplasms Biliary Tract Neoplasms Breast Neoplasms Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Hereditary Breast and Ovarian Cancer Syndrome Ovarian Neoplasms Ovarian Neoplasms Ovarian Neoplasms Prostatic Neoplasms, Castration-Resistant Small Cell Lung Carcinoma Carcinoma, Pancreatic Ductal Carcinoma, Squamous Cell Carcinoma, Squamous Cell Colorectal Neoplasms Endometrial Neoplasms Endometrial Neoplasms
ATC Classification
L01XK02
niraparib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 79 meas. best 8.7
EC50 6 meas. best 8.4
Kd 4 meas. best 9.0
Ki 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Kd | 9.0 | 9.0 | 1.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 8.7 | 7.9226 | 2.0 | 19 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 8.68 | 7.99 | 2.1 | 8 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| PARP 1, 2 and 3 CHEMBL3390820 | IC50 | 8.46 | 8.43 | 3.5 | 2 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| PARP 1, 2 and 3 CHEMBL3390820 | EC50 | 8.4 | 8.4 | 4.0 | 2 |
| Ishikawa CHEMBL614649 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Kd | 7.11 | 7.11 | 78.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP12 CHEMBL2429709 | IC50 | 7.1 | 6.6 | 79.0 | 2 |
| HEC-1B cell line CHEMBL614817 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
| DLD-1 CHEMBL614285 | IC50 | 6.83 | 6.83 | 149.0 | 1 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | EC50 | 6.7 | 5.605 | 200.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 6.59 | 6.15 | 254.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP4 CHEMBL6142 | Kd | 6.57 | 6.57 | 272.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.53 | 6.185 | 297.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | IC50 | 6.53 | 6.3167 | 295.1 | 3 |
| Protein mono-ADP-ribosyltransferase PARP4 CHEMBL6142 | IC50 | 6.48 | 6.3933 | 330.0 | 3 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 6.24 | 5.8333 | 570.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.21 | 6.21 | 620.8 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.19 | 6.19 | 650.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.1 | 5.6267 | 800.0 | 3 |
| HCT-116 CHEMBL394 | IC50 | 6.08 | 5.91 | 830.0 | 2 |
| MV4-11 CHEMBL613835 | IC50 | 5.77 | 5.595 | 1690.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP14 CHEMBL2176777 | IC50 | 5.76 | 5.26 | 1737.8 | 2 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.72 | 5.5975 | 1900.0 | 4 |
| A549 CHEMBL392 | IC50 | 5.38 | 5.14 | 4170.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | Kd | 5.3 | 5.3 | 5000.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 5.29 | 5.29 | 5128.6 | 2 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.2 | 4.746 | 6320.0 | 5 |
| MDA-MB-468 CHEMBL614335 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| BT-549 CHEMBL614072 | IC50 | 5.08 | 4.8467 | 8280.0 | 3 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| NCM460 CHEMBL4483264 | IC50 | 4.67 | 4.47 | 21130.0 | 2 |
| Protein mono-ADP-ribosyltransferase PARP15 CHEMBL2176778 | IC50 | 4.54 | 4.54 | 28840.3 | 2 |
| HT-22 CHEMBL614316 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.0 | mL.min-1.g-1 | Mus musculus |
| CL | 16.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 0.3 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 31.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 16.0 | uL/min | Homo sapiens |
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2000.0 | nM | Homo sapiens |
| F | 65.0 | % | Rattus norvegicus |
| F | 57.0 | % | Canis lupus familiaris |
| F | 65.0 | % | Rattus norvegicus |
| Fu | 0.26 | - | Mus musculus |
| Fu | 0.16 | - | Homo sapiens |
| T1/2 | 36.4 | hr | Homo sapiens |
| T1/2 | 5.7 | hr | Canis lupus familiaris |
| T1/2 | 3.4 | hr | Rattus norvegicus |
| T1/2 | 36.4 | hr | Homo sapiens |
| T1/2 | 36.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine