| Synonyms: | |
| Status: | Phase 2 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 19936LIY2V |
Structure
| InChI Key | SZHOJFHSIKHZHA-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.35 |
| AlogP | 4.38 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
|
1700-9610 | - | - | 1930 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Rett Syndrome | 2 | D015518 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 45919 |
| ChEMBL | CHEMBL107874 |
| DrugBank | DB02448 |
| EPA CompTox | DTXSID4021684 |
| FDA SRS | 19936LIY2V |
| Human Metabolome Database | HMDB0000910 |
| KEGG | C17076 |
| PDB | TDA |
| SureChEMBL | SCHEMBL22778 |
| ZINC | ZINC000001628119 |
CONTENTS