| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 3J50XA376E |
Structure
| InChI Key | MGSRCZKZVOBKFT-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H14O |
| Molecular Weight | 150.22 |
| AlogP | 2.82 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 20.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 29 | |
|
Ion channel
Voltage-gated ion channel
Transient receptor potential channel
|
6000-86900 | - | - | - | - | |
|
Unclassified protein
|
29000 | - | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Gingivitis | 1 | D005891 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 27607 |
| ChEMBL | CHEMBL29411 |
| DrugBank | DB02513 |
| DrugCentral | 4258 |
| EPA CompTox | DTXSID6034972 |
| FDA SRS | 3J50XA376E |
| Human Metabolome Database | HMDB0001878 |
| Guide to Pharmacology | 2499 |
| KEGG | C09908 |
| PDB | IPB |
| PubChem | 6989 |
| SureChEMBL | SCHEMBL22165 |
| ZINC | ZINC000000967597 |
CONTENTS