Synonyms: | |
Status: | Approved (1997) |
Entry Type: | Small molecule |
Molecule Category: | Parent Prodrug |
ATC: | B01AC04 |
UNII: | A74586SNO7 |
InChI Key | GKTWGGQPFAXNFI-HNNXBMFYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C16H16ClNO2S |
Molecular Weight | 321.83 |
AlogP | 3.67 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 29.54 |
Molecular species | NEUTRAL |
Aromatic Rings | 2.0 |
Heavy Atoms | 21.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2B
Cytochrome P450 2B6
|
- | - | - | 500-1100 | 44 | |
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | - | - | 14300 | 10 | |
Enzyme
Cytochrome P450
Cytochrome P450 family 3
Cytochrome P450 family 3A
Cytochrome P450 3A4
|
- | - | - | - | 35 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Thrombosis | 4 | D013927 | ClinicalTrials |
Myocardial Infarction | 3 | D009203 | ClinicalTrials |
Coronary Disease | 3 | D003327 | ClinicalTrials |
Carotid Stenosis | 3 | D016893 | ClinicalTrials |
Peripheral Arterial Disease | 3 | D058729 | ClinicalTrials |
Acute Coronary Syndrome | 3 | D054058 | ClinicalTrials |
Atrial Fibrillation | 3 | D001281 | ClinicalTrials |
Hemorrhage | 3 | D006470 | ClinicalTrials |
Ischemia | 3 | D007511 | ClinicalTrials |
Stroke | 3 | D020521 | ClinicalTrials |
Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
Atherosclerosis | 3 | D050197 | ClinicalTrials |
Heart Failure | 3 | D006333 | ClinicalTrials |
Vascular Diseases | 3 | D014652 | ClinicalTrials |
Angina, Stable | 3 | D060050 | ClinicalTrials |
Aortic Valve Stenosis | 3 | D001024 | ClinicalTrials |
Ischemic Attack, Transient | 3 | D002546 | ClinicalTrials |
Intracranial Aneurysm | 3 | D002532 | ClinicalTrials |
Intracranial Arteriosclerosis | 3 | D002537 | ClinicalTrials |
ST Elevation Myocardial Infarction | 3 | D000072657 | ClinicalTrials |
Arteriosclerosis | 3 | D001161 | ClinicalTrials |
Thrombophilia | 3 | D019851 | ClinicalTrials |
Heart Defects, Congenital | 3 | D006330 | ClinicalTrials |
Gastrointestinal Hemorrhage | 3 | D006471 | ClinicalTrials |
Brain Infarction | 3 | D020520 | ClinicalTrials |
Ischemic Stroke | 3 | D000083242 | ClinicalTrials |
Myocardial Infarction | 3 | D009203 | ClinicalTrials |
Venous Thromboembolism | 2 | D054556 | ClinicalTrials |
Intermittent Claudication | 2 | D007383 | ClinicalTrials |
Peripheral Vascular Diseases | 2 | D016491 | ClinicalTrials |
Asthma | 2 | D001249 | ClinicalTrials |
HIV Infections | 2 | D015658 | ClinicalTrials |
Hypertension, Pulmonary | 2 | D006976 | ClinicalTrials |
Polycythemia Vera | 2 | D011087 | ClinicalTrials |
HIV Infections | 2 | D015658 | ClinicalTrials |
Pneumonia, Viral | 2 | D011024 | ClinicalTrials |
Pregnancy | 2 | D011247 | ClinicalTrials |
Respiratory Insufficiency | 2 | D012131 | ClinicalTrials |
Severe Acute Respiratory Syndrome | 2 | D045169 | ClinicalTrials |
Heart Diseases | 2 | D006331 | ClinicalTrials |
Head and Neck Neoplasms | 1 | D006258 | ClinicalTrials |
Diabetes Mellitus, Type 2 | 1 | D003924 | ClinicalTrials |
Lupus Erythematosus, Systemic | 1 | D008180 | ClinicalTrials |
Depressive Disorder, Major | 1 | D003865 | ClinicalTrials |
Cardiovascular Diseases | 1 | D002318 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 113665-84-2 |
ChEBI | 37941 |
ChEMBL | CHEMBL1771 |
DrugBank | DB00758 |
DrugCentral | 708 |
EPA CompTox | DTXSID6022848 |
FDA SRS | A74586SNO7 |
Human Metabolome Database | HMDB0005011 |
Guide to Pharmacology | 7150 |
KEGG | D07729 |
PDB | CGE |
PharmGKB | PA449053 |
PubChem | 60606 |
SureChEMBL | SCHEMBL4769 |
ZINC | ZINC000034781704 |