Basic Information
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 6.77 | - | 6.77 | - | https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2336071/ |
| Boiling Point | 419.0 | ℃ | 419 | ℃ | https://comptox.epa.gov/dashboard/dsstoxdb/calculation_details?model_id=27&search=153847 |
| Melting Point | 111.5 | ℃ | 111-112 | ℃ | https://www.trc-canada.com/product-detail/?CatNum=S487800&CAS=342026-92-0&Chemical_Name=Sipoglitazar&Mol_Formula=C??H??N?O?S |
| Water Solubility | 100000.0 | mg/L | 100 | mg/ml | https://www.selleckchem.com/products/baf312-siponimod.html |
| pKa | 2.69 | - | 2.69,9.15 | - | DRUGBANK | pKa | 9.15 | - | 2.69,9.15 | - | https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL2336071/ |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Factor | Reference |
|---|---|---|---|---|---|---|---|
| Absorption | 70.0 | % | >70 | % | PO, oral; | DRUGBANK | |
| Bioavailability | 84.0 | % | 84 | % | PO, oral; | DRUGBANK | |
| T Max | 4.0 | h | 4(3-8) | h | PO, oral; immediate release formulation; | DRUGBANK | T Max | 6.5 | h | 6-7 | h | PO, oral; food; | food ↑ ; | DRUGBANK |
| Tss | 144.0 | h | 6 | day | PO, oral; | DRUGBANK | |
| Metabolic | 79.3 | % | 79.3 | % | DRUGBANK | Metabolic | 18.5 | % | 18.5 | % | DRUGBANK |
| Clearance | 3.1 | L/h | 3.11 | L/h | multiple sclerosis; | DRUGBANK | |
| Volume of Distribution | 124.0 | L | 124.0 | L | Average volume of distribution; | DRUGBANK | |
| Half-life | 30.0 | h | ~30 | h | elimination half-life; | DRUGBANK | |
| Protein Binding | 99.9 | % | >99.9 | % | normal,healthy; hepatopathy，LD; renal insufficiency; | 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