| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | 8XPW32PR7I |
Structure
| InChI Key | MQZIGYBFDRPAKN-UWFIBFSHSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C40H52O4 |
| Molecular Weight | 596.85 |
| AlogP | 8.91 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 74.6 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 44.0 |
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
|
- | - | - | - | 87 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Diabetic Neuropathies | 2 | D003929 | ClinicalTrials |
| Metabolic Syndrome | 1 | D024821 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 472-61-7 |
| ChEBI | 40968 |
| ChEMBL | CHEMBL1255871 |
| DrugBank | DB06543 |
| EPA CompTox | DTXSID00893777 |
| FDA SRS | 8XPW32PR7I |
| Human Metabolome Database | HMDB0002204 |
| KEGG | C08580 |
| PDB | AXT |
| PubChem | 5281224 |
| SureChEMBL | SCHEMBL18245326 |
| ZINC | ZINC000100042059 |
CONTENTS