Trade Names: | |
Synonyms: | |
Status: | Approved (2014) |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
ATC: | L01XK01 |
UNII: | WOH1JD9AR8 |
InChI Key | FDLYAMZZIXQODN-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C24H23FN4O3 |
Molecular Weight | 434.47 |
AlogP | 2.35 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 4.0 |
Polar Surface Area | 86.37 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 32.0 |
Action | Mechanism of Action | Reference |
---|---|---|
INHIBITOR | PARP 1, 2 and 3 inhibitor | FDA |
Primary Target | |
---|---|
poly(ADP-ribose) polymerase 1 | |
poly(ADP-ribose) polymerase 2 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Transferase
|
0-16000 | 1-2960 | 0 | 1 | 90-100 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Ovarian Neoplasms | 4 | D010051 | ClinicalTrials |
Neoplasms | 4 | D009369 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Fallopian Tube Neoplasms | 3 | D005185 | ClinicalTrials |
Peritoneal Neoplasms | 3 | D010534 | ClinicalTrials |
Endometrial Neoplasms | 3 | D016889 | ClinicalTrials |
Fallopian Tube Neoplasms | 3 | D005185 | ClinicalTrials |
Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
Peritoneal Neoplasms | 3 | D010534 | ClinicalTrials |
Carcinoma | 3 | D002277 | ClinicalTrials |
Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
Small Cell Lung Carcinoma | 3 | D055752 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Endometrial Neoplasms | 3 | D016889 | ClinicalTrials |
Endometrial Neoplasms | 3 | D016889 | ClinicalTrials |
Prostatic Neoplasms, Castration-Resistant | 3 | D064129 | ClinicalTrials |
Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
Carcinoma, Non-Small-Cell Lung | 3 | D002289 | ClinicalTrials |
Prostatic Neoplasms | 3 | D011471 | ClinicalTrials |
Breast Neoplasms | 3 | D001943 | ClinicalTrials |
Lung Neoplasms | 2 | D008175 | ClinicalTrials |
Sarcoma, Ewing | 2 | D012512 | ClinicalTrials |
Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
Neoplasms, Germ Cell and Embryonal | 2 | D009373 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
Glioblastoma | 2 | D005909 | ClinicalTrials |
Carcinoma, Squamous Cell | 2 | D002294 | ClinicalTrials |
Pancreatic Neoplasms | 2 | D010190 | ClinicalTrials |
Colorectal Neoplasms | 2 | D015179 | ClinicalTrials |
Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
Mesothelioma | 2 | D008654 | ClinicalTrials |
Carcinoma, Renal Cell | 2 | D002292 | ClinicalTrials |
Carcinoma, Pancreatic Ductal | 2 | D021441 | ClinicalTrials |
Hemangiosarcoma | 2 | D006394 | ClinicalTrials |
Cholangiocarcinoma | 2 | D018281 | ClinicalTrials |
Sarcoma | 2 | D012509 | ClinicalTrials |
Urinary Bladder Neoplasms | 2 | D001749 | ClinicalTrials |
Bile Duct Neoplasms | 2 | D001650 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Osteosarcoma | 2 | D012516 | ClinicalTrials |
Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
Melanoma | 2 | D008545 | ClinicalTrials |
Triple Negative Breast Neoplasms | 2 | D064726 | ClinicalTrials |
Uterine Cervical Neoplasms | 2 | D002583 | ClinicalTrials |
Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
Hypertension, Pulmonary | 1 | D006976 | ClinicalTrials |
Neuroendocrine Tumors | 1 | D018358 | ClinicalTrials |
Lymphoma | 1 | D008223 | ClinicalTrials |
Central Nervous System Neoplasms | 1 | D016543 | ClinicalTrials |
Glioma | 1 | D005910 | ClinicalTrials |
Rhabdomyosarcoma | 1 | D012208 | ClinicalTrials |
Hereditary Breast and Ovarian Cancer Syndrome | 1 | D061325 | ClinicalTrials |
Uterine Neoplasms | 1 | D014594 | ClinicalTrials |
Neoplasm Metastasis | 1 | D009362 | ClinicalTrials |
Inflammatory Breast Neoplasms | 1 | D058922 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 763113-22-0 |
ChEBI | 83766 |
ChEMBL | CHEMBL521686 |
DrugBank | DB09074 |
DrugCentral | 4907 |
FDA SRS | WOH1JD9AR8 |
Guide to Pharmacology | 7519 |
PDB | 09L |
PubChem | 23725625 |
SureChEMBL | SCHEMBL426568 |
ZINC | ZINC000040430143 |