Basic Information
| Drug ID | DDPD06290 |
|
| Drug Name | Simeprevir | |
| Molecular Weight | 749.939 | |
| Molecular Formula | C38H47N5O7S2 | |
| CAS Number | 923604-59-5 | |
| SMILES | [H][C@]12C[C@]1(NC(=O)[C@]1([H])C[C@H](C[C@@]1([H])C(=O)N(C)CCCC\C=C/2)OC1=CC(=NC2=C1C=CC(OC)=C2C)C1=NC(=CS1)C(C)C)C(=O)NS(=O)(=O)C1CC1 | |
| External Links | ||
| DRUGBANK | DB06290 | |
| PubChem Compound | 24873435 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Melting Point | 225.0 | ℃ | 225 | ℃ | MSDS |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Bioavailability | 62.0 | % | 62 | % | DRUGBANK | |
| T Max | 5.0 | h | 4-6 | h | PO, oral; | DRUGBANK |
| Half-life | 41.0 | h | ~41 | h | elimination half-life; HCV-positive; | DRUGBANK | Half-life | 11.5 | h | 10-13 | h | elimination half-life; normal,healthy; | DRUGBANK |
| Eliminate Route | 91.0 | % | 91 | % | Faeces excretion; | DRUGBANK | Eliminate Route | 1.0 | % | <1 | % | Urinary excretion; | DRUGBANK | Eliminate Route | 31.0 | % | 31 | % | Faeces excretion; Unchanged drug; | DRUGBANK |
| Protein Binding | 99.9 | % | 99.9 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
Not Available
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1