| Trade Names: | |
| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 01YAE03M7J |
Structure
| InChI Key | OENHQHLEOONYIE-JLTXGRSLSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C40H56 |
| Molecular Weight | 536.89 |
| AlogP | 12.61 |
| Hydrogen Bond Acceptor | 0.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 0.0 |
| Molecular species | None |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 40.0 |
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
|
- | 2951 | - | 2260 | 10 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Crohn Disease | 3 | D003424 | ClinicalTrials |
| Macular Degeneration | 3 | D008268 | ClinicalTrials |
| Cataract | 3 | D002386 | ClinicalTrials |
| Myocardial Infarction | 2 | D009203 | ClinicalTrials |
| Myocardial Ischemia | 2 | D017202 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7235-40-7 |
| ChEBI | 17579 |
| ChEMBL | CHEMBL1293 |
| DrugBank | DB06755 |
| DrugCentral | 345 |
| EPA CompTox | DTXSID3020253 |
| FDA SRS | 01YAE03M7J |
| KEGG | C02094 |
| PDB | BCR |
| PubChem | 5280489 |
| SureChEMBL | SCHEMBL6151 |
| ZINC | ZINC000006845076 |
CONTENTS