Synonyms: | |
Status: | Approved (2012) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | C10AX12 |
UNII: | 82KUB0583F |
InChI Key | MBBCVAKAJPKAKM-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Other cytosolic protein
|
- | 1-8 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Hyperlipoproteinemia Type II | 3 | D006938 | ClinicalTrials |
Hyperlipoproteinemia Type II | 3 | D006938 | ClinicalTrials |
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 |