| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | TBV5O16GAP |
Structure
| InChI Key | WZRCQWQRFZITDX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H17NO3 |
| Molecular Weight | 271.32 |
| AlogP | 2.23 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.72 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 20.0 |
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
Dopamine receptor
|
- | - | - | 3100 | - |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5843-65-2 |
| ChEBI | 18418 |
| ChEMBL | CHEMBL19344 |
| DrugBank | DB12779 |
| FDA SRS | TBV5O16GAP |
| Human Metabolome Database | HMDB0033103 |
| KEGG | C06346 |
| PubChem | 114840 |
| SureChEMBL | SCHEMBL636788 |
CONTENTS