| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N07CA01 |
| UNII: | X32KK4201D |
Structure
| InChI Key | UUQMNUMQCIQDMZ-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.2 |
| AlogP | 0.84 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 24.92 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 10.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
- | - | - | 2030 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Obesity | 2 | D009765 | ClinicalTrials |
| Weight Gain | 2 | D015430 | ClinicalTrials |
| Hypercholesterolemia | 2 | D006937 | ClinicalTrials |
| Depressive Disorder, Major | 2 | D003865 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5638-76-6 |
| ChEBI | 35677 |
| ChEMBL | CHEMBL24441 |
| DrugBank | DB06698 |
| DrugCentral | 346 |
| EPA CompTox | DTXSID3022665 |
| FDA SRS | X32KK4201D |
| Human Metabolome Database | HMDB0015644 |
| PharmGKB | PA165958372 |
| PubChem | 2366 |
| SureChEMBL | SCHEMBL125582 |
| ZINC | ZINC000001675415 |
CONTENTS