Basic Information
| Drug ID | DDPD09053 |
|
| Drug Name | Ibrutinib | |
| Molecular Weight | 440.507 | |
| Molecular Formula | C25H24N6O2 | |
| CAS Number | 936563-96-1 | |
| SMILES | NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1 | |
| External Links | ||
| DRUGBANK | DB09053 | |
| PubChem Compound | 24821094 | |
| PDR | 3399 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 3.97 | - | 3.97 | - | FDA Imbruvica review. (2013) |
| Melting Point | 153.5 | ℃ | 149-158 | ℃ | FDA Imbruvica review. (2013) |
| Water Solubility | 3.0 | mg/L | 0.003 | mg/ml | FDA Imbruvica review. 2013) |
| pKa | 3.74 | - | 3.74 | - | FDA Imbruvica review. (2013) |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| AUC | 953000000.0 | ng.h/ml | 953.0 | mg.h/ml | PO, oral; | DRUGBANK |
| C Max | 35.0 | ng/ml | 35 | ng/ml | PO, oral; | DRUGBANK |
| T Max | 1.5 | h | 1-2 | h | PO, oral; | DRUGBANK |
| Clearance | 8.1 | L/h | 112-159 | ml/min | normal renal function; patients; | DRUGBANK | Clearance | 0.98 | L/h/kg | 16.4 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 10000.0 | L | 10000.0 | L | at steady state; | DRUGBANK | Volume of Distribution | 9.8 | L/kg | 9.75 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 5.0 | h | ~4-6 | h | elimination half-life; | DRUGBANK | Half-life | 5.0 | h | 5 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Eliminate Route | 7.8 | % | ~7.8 | % | Urinary excretion; | DRUGBANK | Eliminate Route | 80.0 | % | 80 | % | Faeces excretion; | DRUGBANK |
| Protein Binding | 97.3 | % | 97.3 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for adults | 560.0 | mg/day | 560 | mg/day | PO, oral | Imbruvica | ibrutinib | PDR |
| Max dose for geriatric | 560.0 | mg/day | 560 | mg/day | PO, oral | Imbruvica | ibrutinib | 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