Oja, M.; Maran, U. Quantitative structure-permeability relationships at various pH values for acidic and basic drugs and drug-like compounds. SAR QSAR Environ. Res. 2015, 26, 701-719.
Compound
| ID: | A21 | |
|---|---|---|
| Name: | Naproxen | |
| Description: | ||
| Labels: | Acid | |
| CAS: | 22204-53-1 | |
| InChi Code: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 |
Properties
logPeff_pH3: Logarithmic effective membrane permeability at pH 3 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.36 |
experimental value |
| -4.9 |
Eq.4: QSAR model for membrane permeability of acidic compounds at pH 3 (Validation set) |
logPeff_pH5: Logarithmic effective membrane permeability at pH 5 [log(cm/s)]
| Value | Source or prediction |
|---|---|
| -4.82 |
experimental value |
| -5.02 |
Eq.5: QSAR model for membrane permeability of acidic compounds at pH 5 (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4040686 | US EPA CompTox Dashboard |