| Synonyms: | |
| Status: | Approved (2012) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C10AX12 |
| UNII: | 82KUB0583F |
Structure
| InChI Key | MBBCVAKAJPKAKM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C39H37F6N3O2 |
| Molecular Weight | 693.73 |
| AlogP | 8.38 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 61.44 |
| Molecular species | BASE |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 50.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Other cytosolic protein
|
- | 1-8 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hyperlipoproteinemia Type II | 3 | D006938 | ClinicalTrials |
| Hyperlipoproteinemia Type II | 3 | D006938 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 182431-12-5 |
| ChEBI | 72297 |
| ChEMBL | CHEMBL354541 |
| DrugBank | DB08827 |
| DrugCentral | 4721 |
| EPA CompTox | DTXSID50171294 |
| FDA SRS | 82KUB0583F |
| Guide to Pharmacology | 7439 |
| PubChem | 9853053 |
| SureChEMBL | SCHEMBL304604 |
| ZINC | ZINC000027990463 |
CONTENTS