Basic Information
| Drug ID | DDPD01232 |
|
| Drug Name | Saquinavir | |
| Molecular Weight | 670.8408 | |
| Molecular Formula | C38H50N6O5 | |
| CAS Number | 127779-20-8 | |
| SMILES | [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)C1=NC3=C(C=CC=C3)C=C1)[C@@H](C2)C(=O)NC(C)(C)C | |
| External Links | ||
| DRUGBANK | DB01232 | |
| PubChem Compound | 441243 | |
| PDR | 1890 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Caco-2 Permeability | -6.26 | - | -6.26 | - | ADME Research, USCD |
| Log P | 3.8 | - | 3.8 | - | DRUGBANK |
| Melting Point | 349.84 | ℃ | 349.84 | ℃ | DRUGBANK |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Factor | Reference |
|---|---|---|---|---|---|---|---|
| AUC | 39026.0 | ng.h/ml | 39026.0 | ng.h/ml | combination drug use; | DRUGBANK | |
| Bioavailability | 4.0 | % | ~4 | % | PO, oral; | DRUGBANK | |
| Metabolic | 90.0 | % | >90 | % | Liver metabolism; | DRUGBANK | |
| Clearance | 1.1 | L/h/kg | 1.14 | L/h/kg | Total clearance; intravenous injection, IV; | DRUGBANK | Clearance | 0.78 | L/h/kg | 13 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 700.0 | L | 700.0 | L | Steady state volume of distribution; | DRUGBANK | Volume of Distribution | 3.6 | L/kg | 3.6 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 13.0 | h | 13 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset | |
| Toxicity LD50 | 5000.0 | mg/kg | >5 | g/kg | PO, oral; mouse; Rattus, Rat; | DRUGBANK | |
| Eliminate Route | 84.5 | % | ~81-88 | % | Faeces excretion; PO, oral; intravenous injection, IV; | DRUGBANK | Eliminate Route | 2.0 | % | 1-3 | % | Urinary excretion; PO, oral; intravenous injection, IV; | DRUGBANK |
| Protein Binding | 98.0 | % | ~98 | % | plasma proteins; | Plasma Concentration → ; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for infants | 100.0 | mg/kg/day | 100 | mg/kg/day | PO, oral | Invirase | saquinavir mesylate | PDR |
| Max dose for infants | 1500.0 | mg/m2/day | 1500 | mg/m2/day | Invirase | saquinavir mesylate | PDR | |
| Max dose for infants | 1600.0 | mg | 1600 | mg | Invirase | saquinavir mesylate | PDR | |
| Max dose for infants | 100.0 | mg/kg/day | 100 | mg/kg/day | PO, oral | Invirase | saquinavir mesylate | PDR |
| Max dose for children | 2000.0 | mg/day | 2000 | mg/day | PO, oral | Invirase | saquinavir mesylate | PDR |
| Max dose for children | 100.0 | mg/kg/day | 100 | mg/kg/day | PO, oral | Invirase | saquinavir mesylate | PDR |
| Max dose for children | 1500.0 | mg/m2/day | 1500 | mg/m2/day | Invirase | saquinavir mesylate | PDR | |
| Max dose for children | 1600.0 | mg | 1600 | mg | Invirase | saquinavir mesylate | PDR | |
| Max dose for adolescents | 2000.0 | mg/day | 2000 | mg/day | PO, oral | Invirase | saquinavir mesylate | PDR |
| Max dose for geriatric | 2000.0 | mg/day | 2000 | mg/day | PO, oral | Invirase | saquinavir mesylate | 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