S+Log P |
−0.95 |
Estimated by ADMET Predictor (Simulations Plus, Inc.) |
Aqueous solubility (mg/mL) |
174 |
Merck index |
Passive jejunal permeability (cm/s) |
0.03 × 10−4
|
Estimated from Caco-2 Papp (37) |
pK
a values |
Acid = 9.4 |
(45) |
Base1 = 1.9 |
Base2 = 7.4 |
Clearance (L h−1 kg−1) |
0.211 |
Fitted from 5 mg/kg i.v. infusion data |
V
c (L/kg) |
0.216 |
Fitted from 5 mg/kg i.v. infusion data |
K
12 (h−1) |
1.31 |
Fitted from 5 mg/kg iv infusion data |
K
21 (h−1) |
0.87 |
Fitted from 5 mg/kg iv infusion data |
First pass extraction (%) |
34 |
Fixed across all five oral doses |
Lumenal degradation (%/h) at pH = 5 |
2.69 |
(30) |
Lumenal degradation (%/h) at pH = 6.5 |
40.4 |
(30) |
Lumenal degradation (%/h) at pH = 7.5 |
80.6 |
(30) |
In situ transporter K
m (μM) |
1200 |
(30) |