| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | RHO99102VC |
Structure
| InChI Key | RHCSKNNOAZULRK-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.26 |
| AlogP | 1.21 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 53.71 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Ligand-gated ion channel
5HT3 receptor
|
- | - | 2239-2239 | - | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
2600-11300 | - | 2239-2239 | 360-5500 | - |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 28346 |
| ChEMBL | CHEMBL26687 |
| EPA CompTox | DTXSID80202303 |
| FDA SRS | RHO99102VC |
| KEGG | C06546 |
| PubChem | 4076 |
| SureChEMBL | SCHEMBL34190 |
| ZINC | ZINC000000001689 |
CONTENTS