Basic Information
| Drug ID | DDPD00210 |
|
| Drug Name | Adapalene | |
| Molecular Weight | 412.5201 | |
| Molecular Formula | C28H28O3 | |
| CAS Number | 106685-40-9 | |
| SMILES | COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 | |
| External Links | ||
| DRUGBANK | DB00210 | |
| T3DB | T3D4673 | |
| PubChem Compound | 60164 | |
| PDR | 1244 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 6.917 | - | 6.917 | - | http://www.chemspider.com/Chemical-Structure.54244.html?rid=2edd1b0e-994a-4cdc-870c-186c62dcad5a&page_num=0 |
| Boiling Point | 606.3 | ℃ | 606.3 | ℃ | http://datasheets.scbt.com/sds/aghs/en/sc-203803.pdf |
| Melting Point | 300.0 | ℃ | 300 | ℃ | http://datasheets.scbt.com/sds/aghs/en/sc-203803.pdf |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| AUC | 8.4 | ng.h/ml | 8.37±8.46 | ng.h/ml | skin/dermal; | DRUGBANK |
| C Max | 0.55 | ng/ml | 0.553±0.466 | ng/ml | skin/dermal; | DRUGBANK |
| Metabolic | 25.0 | % | 25 | % | Liver metabolism; | DRUGBANK |
| Half-life | 17.2 | h | 17.2±10.2(7-51) | h | elimination half-life; ointment; gel; Oral multiple dose; | DRUGBANK |
| Toxicity LD50 | 5000.0 | mg/kg | >5000 | mg/kg | PO, oral; mouse; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 10.0 | ml/kg | >10 | mL/kg | PO, oral; mouse; Rattus, Rat; | T3DB |
| Eliminate Route | 75.0 | % | ~75 | % | Urinary excretion; Unchanged drug; | 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