| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | L01XK05 |
| UNII: | 01O4K0631N |
Structure
| InChI Key | JNAHVYVRKWKWKQ-CYBMUJFWSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H16N4O |
| Molecular Weight | 244.3 |
| AlogP | 1.26 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 83.8 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | PARP 1, 2 and 3 inhibitor | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
2-3000 | 1-355 | 2 | 5-5 | 97-97 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
| Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Triple Negative Breast Neoplasms | 2 | D064726 | ClinicalTrials |
| Skin Neoplasms | 2 | D012878 | ClinicalTrials |
| Hereditary Breast and Ovarian Cancer Syndrome | 2 | D061325 | ClinicalTrials |
| Carcinoma, Hepatocellular | 2 | D006528 | ClinicalTrials |
| Small Cell Lung Carcinoma | 2 | D055752 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Melanoma | 2 | D008545 | ClinicalTrials |
| Testicular Neoplasms | 2 | D013736 | ClinicalTrials |
| Rectal Neoplasms | 2 | D012004 | ClinicalTrials |
| Gliosarcoma | 2 | D018316 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Astrocytoma | 2 | D001254 | ClinicalTrials |
| Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
| Hemangiosarcoma | 2 | D006394 | ClinicalTrials |
| Fallopian Tube Neoplasms | 2 | D005185 | ClinicalTrials |
| Carcinoma, Squamous Cell | 1 | D002294 | ClinicalTrials |
| Carcinoma | 1 | D002277 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 1 | D064129 | ClinicalTrials |
| Lymphoma, T-Cell | 1 | D016399 | ClinicalTrials |
| Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 1 | D008228 | ClinicalTrials |
| Breast Neoplasms, Male | 1 | D018567 | ClinicalTrials |
| Stomach Neoplasms | 1 | D013274 | ClinicalTrials |
| Lymphoma | 1 | D008223 | ClinicalTrials |
| Lymphoma, Mantle-Cell | 1 | D020522 | ClinicalTrials |
| Carcinoma, Endometrioid | 1 | D018269 | ClinicalTrials |
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 912444-00-9 |
| ChEBI | 62880 |
| ChEMBL | CHEMBL506871 |
| DrugBank | DB07232 |
| EPA CompTox | DTXSID90238456 |
| FDA SRS | 01O4K0631N |
| Guide to Pharmacology | 7417 |
| PDB | 78P |
| PharmGKB | PA166131609 |
| PubChem | 11960529 |
| SureChEMBL | SCHEMBL422318 |
| ZINC | ZINC000084610155 |
CONTENTS