Molecule Details
| InChIKey | XUKUURHRXDUEBC-KAYWLYCHSA-N |
|---|---|
| Compound Name | Atorvastatin |
| Canonical SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.16 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01076 |
|---|---|
| Drug Name | Atorvastatin |
| CAS Number | 134523-00-5 |
| Groups | approved investigational |
| ATC Codes | C10BA05 C10BX11 C10BX12 C10BX19 C10BX18 C10AA05 C10BX15 C10BX03 C10BX08 C10BX06 |
| Description | Atorvastatin (Lipitor®), is a lipid-lowering drug included in the statin class of medications. By inhibiting the endogenous production of cholesterol in the liver, statins lower abnormal cholesterol and lipid levels, and ultimately reduce the risk of cardiovascular disease. More specifically, statin... |
Categories: Agents Causing Muscle Toxicity Anticholesteremic Agents BSEP/ABCB11 Substrates Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Fatty Acids Heptanoic Acids Hydroxymethylglutaryl-CoA Reductase Inhibitors Hypolipidemic Agents Hypolipidemic Agents Indicated for Hyperlipidemia Lipid Modifying Agents Lipid Modifying Agents, Plain Lipid Regulating Agents Lipids OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 substrates OATP2B1/SLCO2B1 substrates P-glycoprotein inhibitors P-glycoprotein substrates Toxic Actions UGT1A1 Substrates UGT1A3 substrates
Cross-references: BindingDB: 22164 ChEBI: 39548 CHEMBL1487 ChemSpider: 54810 Drugs Product Database (DPD): 11366 C06834 D07474 PDB: 117 PharmGKB: PA448500 PubChem:60823 PubChem:46506188 RxCUI: 1483793 Therapeutic Targets Database: DAP000553 Wikipedia: Atorvastatin ZINC: ZINC000003920719
Target Activities (2)
DrugBank Target Actions (29)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P35869 | AHR | Aryl hydrocarbon receptor | agonist | targets |
| P04035 | HMGCR | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | inhibitor | targets |
| P27487 | DPP4 | Dipeptidyl peptidase 4 | inhibitor | targets |
| Q92769 | HDAC2 | Histone deacetylase 2 | inhibitor | targets |
| Q14994 | NR1I3 | Nuclear receptor subfamily 1 group I member 3 | ligand | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | substrate | transporters |
| O15440 | O15440 | ATP-binding cassette sub-family C member 5 | substrate | transporters |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | substrate | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | substrate | transporters |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | substrate | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |