Compound Detail
CHEMBL506871
VELIPARIB 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL506871 |
| Name | VELIPARIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | JNAHVYVRKWKWKQ-CYBMUJFWSA-N |
165
Targets
663
Activities
4
Assay Types
23
PK Parameters
20
Publications
3
Known Names
20
Indications
1
Mechanisms
Molecular Properties
244.3
MW (Da)
1.26
ALogP
3
HBA
3
HBD
83.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| PARP 1, 2 and 3 inhibitor | INHIBITOR | PARP 1, 2 and 3 | ✓ | ✓ |
Indications
Breast Neoplasms Breast Neoplasms Breast Neoplasms Carcinoma, Non-Small-Cell Lung Neoplasms Neoplasms Ovarian Neoplasms Ovarian Neoplasms Ovarian Neoplasms Astrocytoma Carcinoma, Hepatocellular Colorectal Neoplasms Fallopian Tube Neoplasms Glioma Gliosarcoma Hemangiosarcoma Hereditary Breast and Ovarian Cancer Syndrome Melanoma Melanoma Pancreatic Neoplasms
ATC Classification
L01XK05
veliparib
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: ANTINEOPLASTIC AGENTS
Activity Summary
IC50 640 meas. best 10.21
EC50 8 meas. best 8.7
Ki 8 meas. best 8.54
Kd 7 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | IC50 | 10.21 | 8.1219 | 0.1 | 27 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | IC50 | 8.89 | 7.6367 | 1.3 | 9 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Kd | 8.77 | 8.655 | 1.7 | 2 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | EC50 | 8.7 | 7.33 | 2.0 | 4 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Ki | 8.54 | 8.2 | 2.9 | 3 |
| Poly [ADP-ribose] polymerase 1 CHEMBL3105 | Ki | 8.48 | 8.328 | 3.3 | 5 |
| Poly [ADP-ribose] polymerase 2 CHEMBL5366 | Kd | 8.24 | 8.1 | 5.8 | 2 |
| PARP 1, 2 and 3 CHEMBL3390820 | EC50 | 8.23 | 8.23 | 5.9 | 1 |
| Protein mono-ADP-ribosyltransferase PARP4 CHEMBL6142 | Kd | 6.98 | 6.98 | 105.0 | 1 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | Kd | 6.64 | 6.64 | 231.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.26 | 5.36 | 550.0 | 2 |
| DLD-1 CHEMBL614285 | IC50 | 6.12 | 5.11 | 750.0 | 3 |
| EOL1 CHEMBL614489 | IC50 | 5.97 | 5.97 | 1079.8 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | IC50 | 5.72 | 5.04 | 1900.0 | 4 |
| Protein mono-ADP-ribosyltransferase PARP3 CHEMBL5083 | IC50 | 5.69 | 5.68 | 2040.0 | 2 |
| SNU-5 CHEMBL614934 | IC50 | 5.5 | 5.5 | 3128.4 | 1 |
| Protein mono-ADP-ribosyltransferase PARP4 CHEMBL6142 | IC50 | 5.46 | 5.46 | 3467.4 | 2 |
| BV-173 CHEMBL2366145 | IC50 | 5.26 | 5.26 | 5454.1 | 1 |
| HCC1806 CHEMBL1075457 | IC50 | 5.24 | 5.24 | 5751.7 | 1 |
| COLO-680N CHEMBL1075427 | IC50 | 5.21 | 5.21 | 6214.1 | 1 |
| Protein mono-ADP-ribosyltransferase PARP10 CHEMBL2429708 | Kd | 5.17 | 5.17 | 6800.0 | 1 |
| HCC2218 CHEMBL2366221 | IC50 | 5.11 | 5.11 | 7797.0 | 1 |
| SK-MEL-24 CHEMBL2366314 | IC50 | 5.11 | 5.11 | 7819.2 | 1 |
| NCI-H720 CHEMBL2366105 | IC50 | 5.07 | 5.07 | 8436.0 | 1 |
| Kasumi 1 CHEMBL613988 | IC50 | 5.05 | 5.05 | 8892.7 | 1 |
| HAL-01 CHEMBL2366142 | IC50 | 5.0 | 5.0 | 9886.2 | 1 |
| CAL-33 CHEMBL1075409 | IC50 | 4.98 | 4.98 | 10434.0 | 1 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 4.97 | 4.97 | 10715.2 | 2 |
| Ramos-2G6-4C10 CHEMBL2366170 | IC50 | 4.9 | 4.9 | 12475.2 | 1 |
| KY821 CHEMBL2366190 | IC50 | 4.9 | 4.9 | 12485.0 | 1 |
| SK-MEL-1 CHEMBL614916 | IC50 | 4.9 | 4.9 | 12466.3 | 1 |
| HEC-1 CHEMBL1075462 | IC50 | 4.89 | 4.89 | 12919.6 | 1 |
| SK-NEP-1 CHEMBL1075580 | IC50 | 4.88 | 4.88 | 13166.0 | 1 |
| MN-60 CHEMBL2366070 | IC50 | 4.87 | 4.87 | 13538.9 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.86 | 4.86 | 13690.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.86 | 4.86 | 13905.3 | 1 |
| EW-3 CHEMBL2366307 | IC50 | 4.84 | 4.84 | 14556.5 | 1 |
| A549 CHEMBL392 | IC50 | 4.82 | 4.82 | 15220.0 | 1 |
| OS-RC-2 CHEMBL2366188 | IC50 | 4.8 | 4.8 | 15958.9 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 4.79 | 4.79 | 16030.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 4.79 | 4.79 | 16204.2 | 1 |
| ChaGo-K-1 CHEMBL1075421 | IC50 | 4.78 | 4.78 | 16532.5 | 1 |
| DEL CHEMBL2366186 | IC50 | 4.78 | 4.78 | 16671.7 | 1 |
| GP5d CHEMBL1075450 | IC50 | 4.77 | 4.77 | 17053.0 | 1 |
| COLO-668 CHEMBL2366215 | IC50 | 4.75 | 4.75 | 17629.3 | 1 |
| HeLa CHEMBL399 | IC50 | 4.74 | 4.74 | 18110.0 | 1 |
| H9 CHEMBL614806 | IC50 | 4.74 | 4.74 | 18283.3 | 1 |
| NKM-1 CHEMBL2366133 | IC50 | 4.73 | 4.73 | 18511.9 | 1 |
| KYSE-150 cell line CHEMBL613998 | IC50 | 4.72 | 4.72 | 18998.6 | 1 |
| Daoy CHEMBL612519 | IC50 | 4.71 | 4.71 | 19564.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2200.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1500.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 3200.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 1300.0 | ng.hr.mL-1 | Macaca fascicularis |
| CL | 68.33 | mL.min-1.kg-1 | Mus musculus |
| CL | 33.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 10.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 18.33 | mL.min-1.kg-1 | Macaca fascicularis |
| Cmax | 6549.32 | nM | Mus musculus |
| Cmax | 2046.66 | nM | Rattus norvegicus |
| Cmax | 3274.66 | nM | Canis lupus familiaris |
| Cmax | 1228.0 | nM | Macaca fascicularis |
| F | 92.0 | % | Mus musculus |
| F | 61.0 | % | Rattus norvegicus |
| F | 72.0 | % | Canis lupus familiaris |
| F | 56.0 | % | Macaca fascicularis |
| T1/2 | 1.6 | hr | Mus musculus |
| T1/2 | 1.2 | hr | Rattus norvegicus |
| T1/2 | 2.7 | hr | Canis lupus familiaris |
| T1/2 | 1.9 | hr | Macaca fascicularis |
| T1/2 | 5.0 | hr | Homo sapiens |
| T1/2 | 0.0255 | hr | Homo sapiens |
| T1/2 | 0.01833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine