Basic Information
| Drug ID | DDPD08820 |
|
| Drug Name | Ivacaftor | |
| Molecular Weight | 392.4907 | |
| Molecular Formula | C24H28N2O3 | |
| CAS Number | 873054-44-5 | |
| SMILES | CC(C)(C)C1=CC(=C(O)C=C1NC(=O)C1=CNC2=CC=CC=C2C1=O)C(C)(C)C | |
| External Links | ||
| DRUGBANK | DB08820 | |
| PubChem Compound | 16220172 | |
| PDR | 1515 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 3.13 | - | 3.13 | - | https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2010601/ |
| Boiling Point | 550.4 | ℃ | 550.4 | ℃ | https://www.lookchem.com/Ivacaftor/ |
| Melting Point | 213.5 | ℃ | 212-215 | ℃ | https://www.trc-canada.com/product-detail/?I940600 |
| Water Solubility | 0.05 | mg/L | <0.05 | ug/ml | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5140711/ |
| pKa | 11.08 | - | 11.08,1.5 | - | https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2010601/ | pKa | 1.5 | - | 11.08,1.5 | - | DRUGBANK |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Factor | Reference |
|---|---|---|---|---|---|---|---|
| AUC | 10600.0 | ng.h/ml | 10600.0 | ng.h/ml | PO, oral; high-fat meal; | high-fat meal ↑ ; | DRUGBANK |
| C Max | 768.0 | ng/ml | 768 | ng/ml | PO, oral; high-fat meal; | high-fat meal ↑ ; | DRUGBANK |
| T Max | 4.0 | h | 4 | h | PO, oral; high-fat meal; | high-fat meal ↑ ; | DRUGBANK |
| Clearance | 17.3 | L/h | 17.3 | L/h | normal,healthy; | DRUGBANK | |
| Volume of Distribution | 353.0 | L | 353(122) | L | Apparent volume of distribution; PO, oral; normal,healthy; food; | DRUGBANK | |
| Half-life | 12.0 | h | ~12 | h | terminal half-life; Single dose; | DRUGBANK | Half-life | 13.0 | h | 12-14 | h | different study; | DRUGBANK |
| Eliminate Route | 87.8 | % | 87.8 | % | Faeces excretion; PO, oral; | DRUGBANK | |
| Protein Binding | 99.0 | % | ~99 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for infants | 150.0 | mg/day | 150 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for infants | 100.0 | mg/day | 100 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for infants | 50.0 | mg/day | 50 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for children | 300.0 | mg/day | 300 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for children | 150.0 | mg/day | 150 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for children | 100.0 | mg/day | 100 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for children | 50.0 | mg/day | 50 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for adolescents | 300.0 | mg/day | 300 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for adults | 300.0 | mg/day | 300 | mg/day | PO, oral | Kalydeco | ivacaftor | PDR |
| Max dose for geriatric | 300.0 | mg/day | 300 | mg/day | PO, oral | Kalydeco | ivacaftor | 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