| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N03AD01 |
| UNII: | 5SEH9X1D1D |
Structure
| InChI Key | HAPOVYFOVVWLRS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.17 |
| AlogP | 0.45 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.17 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 103 |
Metabolites
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Irritable Bowel Syndrome | 3 | D043183 | ClinicalTrials |
| Seizures | 3 | D012640 | ClinicalTrials |
| Epilepsy, Absence | 3 | D004832 | ClinicalTrials |
| Neuralgia | 2 | D009437 | ClinicalTrials |
| Complex Regional Pain Syndromes | 2 | D020918 | ClinicalTrials |
| Migraine Disorders | 1 | D008881 | ClinicalTrials |
| Depressive Disorder | 0 | D003866 | ClinicalTrials |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 77-67-8 |
| ChEBI | 4887 |
| ChEMBL | CHEMBL696 |
| DrugBank | DB00593 |
| DrugCentral | 1087 |
| EPA CompTox | DTXSID7023019 |
| FDA SRS | 5SEH9X1D1D |
| Human Metabolome Database | HMDB0014731 |
| Guide to Pharmacology | 7182 |
| KEGG | C07505 |
| PharmGKB | PA449533 |
| PubChem | 3291 |
| SureChEMBL | SCHEMBL34212 |
| ZINC | ZINC01530806 |
CONTENTS