| Trade Names: | |
| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 2679MF687A |
Structure
| InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5NO2 |
| Molecular Weight | 123.11 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 50.19 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 9.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 39 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Carboxylic acid receptor
Hydroxycarboxylic acid receptor
|
9-5000 | 130-67300 | - | 50-104 | 100 | |
|
Membrane receptor
|
9-5000 | 130-67300 | - | 50-104 | 100 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 125 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC47 family of multidrug and toxin extrusion transporters
|
- | - | - | - | 54 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Renal Insufficiency, Chronic | 4 | D051436 | ClinicalTrials |
| Coronary Disease | 4 | D003327 | ClinicalTrials |
| Stroke | 3 | D020521 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Carotid Artery Diseases | 3 | D002340 | ClinicalTrials |
| Lipid Metabolism Disorders | 3 | D052439 | ClinicalTrials |
| Carotid Artery Diseases | 3 | D002340 | ClinicalTrials |
| Psychotic Disorders | 3 | D011618 | ClinicalTrials |
| Intermittent Claudication | 3 | D007383 | ClinicalTrials |
| Intracranial Arteriosclerosis | 3 | D002537 | ClinicalTrials |
| Hyperlipoproteinemia Type II | 3 | D006938 | ClinicalTrials |
| Myocardial Ischemia | 3 | D017202 | ClinicalTrials |
| Flushing | 3 | D005483 | ClinicalTrials |
| Tuberculosis | 3 | D014376 | ClinicalTrials |
| Hyperlipidemia, Familial Combined | 3 | D006950 | ClinicalTrials |
| Acute Coronary Syndrome | 3 | D054058 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| Heart Failure | 2 | D006333 | ClinicalTrials |
| Anemia, Sickle Cell | 2 | D000755 | ClinicalTrials |
| Ischemic Stroke | 2 | D000083242 | ClinicalTrials |
| HIV Infections | 2 | D015658 | ClinicalTrials |
| Heart Failure, Systolic | 2 | D054143 | ClinicalTrials |
| Metabolic Syndrome | 2 | D024821 | ClinicalTrials |
| Obesity | 2 | D009765 | ClinicalTrials |
| Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
| Retinal Vein Occlusion | 2 | D012170 | ClinicalTrials |
| Glioblastoma | 1 | D005909 | ClinicalTrials |
| Lymphoma, Non-Hodgkin | 1 | D008228 | ClinicalTrials |
| Stress Disorders, Post-Traumatic | 1 | D013313 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 1 | D009771 | ClinicalTrials |
| Aortic Valve Stenosis | 0 | D001024 | ClinicalTrials |
| Neoplasms | 0 | D009369 | ClinicalTrials |
Related Entries
MCS
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-67-6 |
| ChEBI | 15940 |
| ChEMBL | CHEMBL573 |
| DrugBank | DB00627 |
| DrugCentral | 2835 |
| EPA CompTox | DTXSID1020932 |
| FDA SRS | 2679MF687A |
| Human Metabolome Database | HMDB0001488 |
| Guide to Pharmacology | 1588 |
| KEGG | C00253 |
| PDB | NIO |
| PharmGKB | PA450617 |
| PubChem | 938 |
| SureChEMBL | SCHEMBL1433 |
| ZINC | ZINC000000001795 |
CONTENTS