Basic Information
| Drug ID | DDPD00641 |
|
| Drug Name | Simvastatin | |
| Molecular Weight | 418.5662 | |
| Molecular Formula | C25H38O5 | |
| CAS Number | 79902-63-9 | |
| SMILES | [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)C(C)(C)CC | |
| External Links | ||
| DRUGBANK | DB00641 | |
| T3DB | T3D4788 | |
| PubChem Compound | 54454 | |
| PDR | 402 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 4.68 | - | 4.68 | - | HANSCH,C ET AL. (1995) |
| Melting Point | 136.5 | ℃ | 135-138 | ℃ | PhysProp |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| AUC | 40.3 | ng.h/ml | 40.32 | ug.h/L | DRUGBANK | |
| Bioavailability | 5.0 | % | ≤5 | % | The Pharmacological Basis of Therapeutics | |
| C Max | 9.8 | ng/ml | 9.83 | ug/L | DRUGBANK | C Max | 46.0 | ngEq/ml | 46±20 | ngEq/ml | PO, oral; Active metabolite; adults; normal,healthy; | The Pharmacological Basis of Therapeutics | C Max | 56.0 | ngEq/ml | 56±25 | ngEq/ml | PO, oral; Active metabolite; adults; normal,healthy; | The Pharmacological Basis of Therapeutics |
| T Max | 1.4 | h | 1.44 | h | DRUGBANK | T Max | 1.4 | h | 1.4±1.0 | h | PO, oral; Active metabolite; adults; normal,healthy; | The Pharmacological Basis of Therapeutics | T Max | 1.4 | h | 1.4±1.0 | h | PO, oral; Active metabolite; adults; normal,healthy; | The Pharmacological Basis of Therapeutics |
| Clearance | 0.46 | L/h/kg | 7.6 | ml/min/kg | The Pharmacological Basis of Therapeutics | |
| Half-life | 4.9 | h | 4.85 | h | DRUGBANK | Half-life | 2.5 | h | 2-3 | h | The Pharmacological Basis of Therapeutics |
| Eliminate Route | 13.0 | % | 13 | % | Urinary excretion; PO, oral; Male, men; human, homo sapiens; | DRUGBANK | Eliminate Route | 60.0 | % | 60 | % | Faeces excretion; PO, oral; Male, men; human, homo sapiens; | DRUGBANK | Eliminate Route | 0 | % | ~0 | % | Urinary excretion; Unchanged drug; | The Pharmacological Basis of Therapeutics |
| Protein Binding | 95.0 | % | ~95 | % | plasma proteins; human, homo sapiens; | DRUGBANK | Protein Binding | 94.0 | % | 94 | % | The Pharmacological Basis of Therapeutics |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for children | 40.0 | mg/day | 40 | mg/day | PO, oral | Zocor | simvastatin | PDR |
| Max dose for children | 20.0 | mg/day | 20 | mg/day | PO, oral | Zocor | simvastatin | PDR |
| Max dose for adolescents | 40.0 | mg/day | 40 | mg/day | PO, oral | Zocor | simvastatin | PDR |
| Max dose for adults | 40.0 | mg/day | 40 | mg/day | PO, oral | Zocor | simvastatin | PDR |
| Max dose for adults | 80.0 | mg/day | 80 | mg/day | PO, oral | Zocor | simvastatin | PDR |
| Max dose for geriatric | 40.0 | mg/day | 40 | mg/day | PO, oral | Zocor | simvastatin | PDR |
| Max dose for geriatric | 80.0 | mg/day | 80 | mg/day | PO, oral | Zocor | simvastatin | PDR |
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1