| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1996) |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| UNII: | 48A5M73Z4Q |
| Parent Compound: | ATORVASTATIN |
Structure
| InChI Key | FQCKMBLVYCEXJB-MNSAWQCASA-L |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C66H68CaF2N4O10 |
| Molecular Weight | 1155.36 |
| AlogP | 6.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 111.79 |
| Molecular species | ACID |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 41.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | HMG-CoA reductase inhibitor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | 13220 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 3388.44 | - | 2580 | 32.1 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 13000 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCC subfamily
|
- | 14200 | - | - | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Heart Failure | 4 | D006333 | ClinicalTrials |
| Myocardial Infarction | 4 | D009203 | ClinicalTrials |
| Diabetes Mellitus, Type 2 | 3 | D003924 | ClinicalTrials |
| Hyperlipidemia, Familial Combined | 3 | D006950 | ClinicalTrials |
| Non-ST Elevated Myocardial Infarction | 3 | D000072658 | ClinicalTrials |
| Cardiovascular Diseases | 3 | D002318 | ClinicalTrials |
| Diabetes Mellitus, Type 1 | 3 | D003922 | ClinicalTrials |
| Lipid Metabolism Disorders | 3 | D052439 | ClinicalTrials |
| ST Elevation Myocardial Infarction | 3 | D000072657 | ClinicalTrials |
| Renal Insufficiency, Chronic | 3 | D051436 | ClinicalTrials |
| Brain Injuries | 2 | D001930 | ClinicalTrials |
| Polycystic Ovary Syndrome | 2 | D011085 | ClinicalTrials |
| Periodontitis | 2 | D010518 | ClinicalTrials |
| Glomerulonephritis, IGA | 2 | D005922 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 2 | D064129 | ClinicalTrials |
| Graft vs Host Disease | 2 | D006086 | ClinicalTrials |
| Alzheimer Disease | 2 | D000544 | ClinicalTrials |
| Neoplasms | 2 | D009369 | ClinicalTrials |
| Vitiligo | 1 | D014820 | ClinicalTrials |
| HIV Infections | 1 | D015658 | ClinicalTrials |
| Cerebral Infarction | 1 | D002544 | ClinicalTrials |
Related Entries
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 50686 |
| ChEMBL | CHEMBL393220 |
| EPA CompTox | DTXSID6044303 |
| FDA SRS | 48A5M73Z4Q |
| PubChem | 60822 |
| SureChEMBL | SCHEMBL3832 |
CONTENTS