| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | LA9DTA2L8F |
Structure
| InChI Key | YDSDEBIZUNNPOB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C24H30N2O3 |
| Molecular Weight | 394.51 |
| AlogP | 3.68 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 49.85 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 29.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Short peptide receptor (family A GPCR)
Opioid receptor
|
0 | 0 | - | 0-0 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Neuralgia | 2 | D009437 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59708-52-0 |
| ChEBI | 61084 |
| ChEMBL | CHEMBL290429 |
| DrugBank | DB01535 |
| EPA CompTox | DTXSID40208427 |
| FDA SRS | LA9DTA2L8F |
| Guide to Pharmacology | 10040 |
| PubChem | 62156 |
| SureChEMBL | SCHEMBL116222 |
| ZINC | ZINC000004215196 |
CONTENTS