| Synonyms: | |
| Status: | Approved (2012) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | B01AF02 |
| UNII: | 3Z9Y7UWC1J |
Structure
| InChI Key | QNZCBYKSOIHPEH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H25N5O4 |
| Molecular Weight | 459.51 |
| AlogP | 2.7 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 110.76 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 34.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | Coagulation factor X inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | 2.26-230 | - | 0.08-0.08 | 91.36-98.36 | |
|
Enzyme
Transferase
|
- | - | - | - | 9.48-15.2 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -4.09--0.28 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Atrial Fibrillation | 4 | D001281 | ClinicalTrials |
| Venous Thrombosis | 4 | D020246 | ClinicalTrials |
| Thrombosis | 4 | D013927 | ClinicalTrials |
| Precursor Cell Lymphoblastic Leukemia-Lymphoma | 3 | D054198 | ClinicalTrials |
| Atrial Flutter | 3 | D001282 | ClinicalTrials |
| Ischemia | 3 | D007511 | ClinicalTrials |
| Hematoma | 3 | D006406 | ClinicalTrials |
| Renal Insufficiency | 3 | D051437 | ClinicalTrials |
| Neoplasms | 3 | D009369 | ClinicalTrials |
| Severe Acute Respiratory Syndrome | 3 | D045169 | ClinicalTrials |
| Acute Coronary Syndrome | 3 | D054058 | ClinicalTrials |
| Anemia, Sickle Cell | 3 | D000755 | ClinicalTrials |
| Aortic Valve Stenosis | 3 | D001024 | ClinicalTrials |
| Renal Insufficiency, Chronic | 2 | D051436 | ClinicalTrials |
| Hemorrhage | 2 | D006470 | ClinicalTrials |
| Liver Cirrhosis | 2 | D008103 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Foramen Ovale, Patent | 2 | D054092 | ClinicalTrials |
| Thromboembolism | 1 | D013923 | ClinicalTrials |
| Blood Coagulation Disorders | 1 | D001778 | ClinicalTrials |
| Nephrotic Syndrome | 1 | D009404 | ClinicalTrials |
| Ischemic Stroke | 1 | D000083242 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 72296 |
| ChEMBL | CHEMBL231779 |
| DrugBank | DB07828 |
| DrugCentral | 4298 |
| EPA CompTox | DTXSID80436500 |
| FDA SRS | 3Z9Y7UWC1J |
| Guide to Pharmacology | 6390 |
| PDB | GG2 |
| PharmGKB | PA166163740 |
| PubChem | 10182969 |
| SureChEMBL | SCHEMBL118023 |
| ZINC | ZINC000011677837 |
CONTENTS