| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | XI179PG9LV |
Structure
| InChI Key | WLLOFQROROXOMO-GOSISDBHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H32N2O6 |
| Molecular Weight | 432.52 |
| AlogP | 2.63 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 86.42 |
| Molecular species | BASE |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | - | - | - | 13 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
0-2 | - | - | 0-1 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Depressive Disorder | 1 | D003866 | ClinicalTrials |
| Depressive Disorder, Treatment-Resistant | 1 | D061218 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1331782-27-4 |
| ChEMBL | CHEMBL2152922 |
| DrugBank | DB12675 |
| FDA SRS | XI179PG9LV |
| Guide to Pharmacology | 9059 |
| PubChem | 53354764 |
| SureChEMBL | SCHEMBL619629 |
| ZINC | ZINC000095577747 |
CONTENTS