Basic Information
| Drug ID | DDPD09026 |
|
| Drug Name | Aliskiren | |
| Molecular Weight | 551.7583 | |
| Molecular Formula | C30H53N3O6 | |
| CAS Number | 173334-57-1 | |
| SMILES | COCCCOC1=C(OC)C=CC(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)=C1 | |
| External Links | ||
| DRUGBANK | DB09026 | |
| PubChem Compound | 5493444 | |
| PDR | 24312 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 2.45 | - | 2.45 | - | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3103912/ |
| Boiling Point | 748.4 | ℃ | 748.4±60.0 | ℃ | https://m.chemicalbook.com/ChemicalProductProperty_EN_CB9966226.htm |
| Melting Point | 95.0 | ℃ | >95 | ℃ | https://www.accessdata.fda.gov/drugsatfda_docs/nda/2010/022545Orig1s000EA.pdf |
| pKa | 9.49 | - | 9.49 | - | https://m.chemicalbook.com/ChemicalProductProperty_EN_CB9966226.htm |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Bioavailability | 2.3 | % | 2-2.5 | % | PO, oral; | DRUGBANK |
| T Max | 2.0 | h | 1-3 | h | PO, oral; | DRUGBANK |
| Tss | 180.0 | h | 7-8 | day | PO, oral; | DRUGBANK |
| Metabolic | 80.0 | % | 80 | % | Unchanged drug; PO, oral; | DRUGBANK | Metabolic | 2.0 | % | 1-3 | % | DRUGBANK |
| Clearance | 1.3 | L/h | 1280±500 | ml/h | Renal clearance; normal,healthy; | DRUGBANK |
| Half-life | 35.0 | h | 30-40 | h | elimination half-life; | DRUGBANK | Half-life | 24.0 | h | ~24 | h | DRUGBANK |
| Toxicity LD50 | 2000.0 | mg/kg | >2000 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK |
| Eliminate Route | 0.60 | % | 0.6 | % | Urinary excretion; | DRUGBANK | Eliminate Route | 80.0 | % | >80 | % | Faeces excretion; | DRUGBANK | Eliminate Route | 25.0 | % | ~25 | % | Urinary excretion; Unchanged drug; | DRUGBANK |
| Protein Binding | 49.0 | % | 47-51 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for neonates | 0.0 | 0 | Aliskiren | aliskiren | PDR | |||
| Max dose for infants | 0.0 | 0 | Aliskiren | aliskiren | PDR | |||
| Max dose for children | 300.0 | mg/day | 300 | mg/day | PO, oral | Aliskiren | aliskiren | PDR |
| Max dose for children | 150.0 | mg/day | 150 | mg/day | PO, oral | Aliskiren | aliskiren | PDR |
| Max dose for children | 0.0 | 0 | Aliskiren | aliskiren | PDR | |||
| Max dose for adolescents | 300.0 | mg/day | 300 | mg/day | PO, oral | Aliskiren | aliskiren | PDR |
| Max dose for adolescents | 150.0 | mg/day | 150 | mg/day | PO, oral | Aliskiren | aliskiren | PDR |
| Max dose for adults | 300.0 | mg/day | 300 | mg/day | PO, oral | Aliskiren | aliskiren | PDR |
| Max dose for geriatric | 300.0 | mg/day | 300 | mg/day | PO, oral | Aliskiren | aliskiren | 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