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 |