| Synonyms: | |
| Status: | Approved (2013) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N07AA01 |
| UNII: | 3982TWQ96G |
Structure
| InChI Key | ALWKGYPQUAPLQC-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H19N2O2+ |
| Molecular Weight | 223.3 |
| AlogP | 1.94 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 29.54 |
| Molecular species | None |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 16.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | 19-28300 | - | - | ||
|
Enzyme
Transferase
|
- | - | - | - | 12.59 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Burns | 3 | D002056 | ClinicalTrials |
| Postoperative Nausea and Vomiting | 3 | D020250 | ClinicalTrials |
| Headache | 3 | D006261 | ClinicalTrials |
| Gastroparesis | 2 | D018589 | ClinicalTrials |
| Postoperative Complications | 2 | D011183 | ClinicalTrials |
| Obesity, Morbid | 2 | D009767 | ClinicalTrials |
| Kidney Diseases | 2 | D007674 | ClinicalTrials |
| Pain | 2 | D010146 | ClinicalTrials |
| Hypospadias | 2 | D007021 | ClinicalTrials |
| Breast Neoplasms | 2 | D001943 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-99-4 |
| ChEBI | 7514 |
| ChEMBL | CHEMBL278020 |
| DrugBank | DB01400 |
| DrugCentral | 1897 |
| EPA CompTox | DTXSID1023360 |
| FDA SRS | 3982TWQ96G |
| Human Metabolome Database | HMDB15472 |
| Guide to Pharmacology | 8993 |
| KEGG | C07258 |
| PharmGKB | PA450611 |
| PubChem | 4456 |
| SureChEMBL | SCHEMBL34419 |
| ZINC | ZINC000000001792 |
CONTENTS