| Synonyms: | |
| Status: | Approved (1992) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | G63QQF2NOX |
Structure
| InChI Key | XNEFYCZVKIDDMS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22O3 |
| Molecular Weight | 310.39 |
| AlogP | 4.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 103 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Melanosis | 4 | D008548 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 134751 |
| ChEMBL | CHEMBL1200522 |
| DrugBank | DB09495 |
| DrugCentral | 4242 |
| EPA CompTox | DTXSID9044829 |
| FDA SRS | G63QQF2NOX |
| PubChem | 51040 |
| SureChEMBL | SCHEMBL15650 |
| ZINC | ZINC000000000973 |
CONTENTS