| Synonyms: | |
| Status: | Approved (2018) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01XK04 |
| UNII: | 9QHX048FRV |
| InChI Key | HWGQMRYQVZSGDQ-HZPDHXFCSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H14F2N6O |
| Molecular Weight | 380.36 |
| AlogP | 2.63 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 88.49 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 28.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Poly [ADP-ribose] polymerase-1 inhibitor | PubMed |
| Primary Target | |
|---|---|
| poly(ADP-ribose) polymerase 1 | |
| poly(ADP-ribose) polymerase 2 |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
3-3 | 1-7 | - | 1-1 | 91 |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neoplasms | 4 | D009369 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
| Ovarian Neoplasms | 3 | D010051 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Breast Neoplasms | 3 | D001943 | ClinicalTrials |
| Small Cell Lung Carcinoma | 2 | D055752 | ClinicalTrials |
| Triple Negative Breast Neoplasms | 2 | D064726 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Hemangiosarcoma | 2 | D006394 | ClinicalTrials |
| Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
| Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
| Carcinoma, Non-Small-Cell Lung | 2 | D002289 | ClinicalTrials |
| Hereditary Breast and Ovarian Cancer Syndrome | 2 | D061325 | ClinicalTrials |
| Prostatic Neoplasms | 2 | D011471 | ClinicalTrials |
| Carcinoma, Renal Cell | 2 | D002292 | ClinicalTrials |
| Endometrial Neoplasms | 2 | D016889 | ClinicalTrials |
| Glioblastoma | 2 | D005909 | ClinicalTrials |
| Leukemia, Myeloid, Acute | 1 | D015470 | ClinicalTrials |
| Pancreatic Neoplasms | 1 | D010190 | ClinicalTrials |
| Leukemia | 1 | D007938 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1207456-01-6 |
| ChEMBL | CHEMBL3137320 |
| DrugBank | DB11760 |
| DrugCentral | 5300 |
| FDA SRS | 9QHX048FRV |
| Guide to Pharmacology | 8313 |
| PDB | 2YQ |
| PubChem | 135565082 |
| SureChEMBL | SCHEMBL2299348 |
| ZINC | ZINC000072318110 |