| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | OT12HJU3AR |
Structure
| InChI Key | LFYJSSARVMHQJB-QIXNEVBVSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value | |
|---|---|---|
| Molecular Formula | C18H24O | |
| Molecular Weight | 256.39 | |
| AlogP | 5.34 | |
| Hydrogen Bond Acceptor | 1.0 | |
| Hydrogen Bond Donor | 1.0 | |
| Number of Rotational Bond | 6.0 | |
| Polar Surface Area | 20.23 | |
| Molecular species | NEUTRAL | |
| Aromatic Rings | 1.0 | |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
|---|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | 13 | ||
|
Transcription factor
|
- | 6100 | - | - | - |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL262344 |
| DrugBank | DB16102 |
| FDA SRS | OT12HJU3AR |
| PubChem | 5468522 |
| SureChEMBL | SCHEMBL9921172 |
| ZINC | ZINC000001644304 |
CONTENTS