|
| Absorption |
Caco-2 (logPaap) |
-5.44 |
|
Human Oral Bioavailability 20% |
Non-Bioavailable |
|
Human Intestinal Absorption |
Absorbed |
|
Madin-Darby Canine Kidney |
-5.11 |
|
Human Oral Bioavailability 50% |
Non-Bioavailable |
|
P-Glycoprotein Inhibitor |
Non-Inhibitor |
|
P-Glycoprotein Substrate |
Substrate |
|
Skin Permeability |
-1.91 |
|
| Distribution |
Blood-Brain Barrier (Central Nervous System) |
-3.22 |
|
Blood-Brain Barrier |
Penetrable |
|
Fraction Unbound (Human) |
0.54 |
|
Plasma Protein Binding |
24.91 |
|
Steady State Volume of Distribution |
2.28 |
|
| Metabolism |
Breast Cancer Resistance Protein |
Non-Inhibitor |
|
CYP 1A2 Inhibitor |
Non-Inhibitor |
|
CYP 1A2 substrate |
Non-Substrate |
|
CYP 2C19 Inhibitor |
Non-Inhibitor |
|
CYP 2C19 substrate |
Non-Substrate |
|
CYP 2C9 Inhibitor |
Non-Inhibitor |
|
CYP 2C9 Substrate |
Non-Substrate |
|
CYP 2D6 Inhibitor |
Non-Inhibitor |
|
CYP 2D6 Substrate |
Non-Substrate |
|
CYP 3A4 Inhibitor |
Non-Inhibitor |
|
CYP 3A4 Substrate |
Substrate |
|
OATP1B1 |
Non-Inhibitor |
|
OATP1B3 |
Non-Inhibitor |
|
| Excretion |
Clearance |
13.64 |
|
Organic Cation Transporter 2 |
Inhibitor |
|
Half-Life of Drug |
Half-Life < 3hs |
|
| Toxicity |
AMES Mutagenesis |
Toxic |
|
Avian |
Safe |
|
Bee |
Toxic |
|
Bioconcentration Factor |
0.31 |
|
Biodegradation |
Safe |
|
Carcinogenesis |
Safe |
|
Crustacean |
Toxic |
|
Liver Injury I |
Safe |
|
Eye Corrosion |
Safe |
|
Eye irritation |
Safe |
|
Maximum Tolerated Dose |
-0.74 |
|
Liver Injury II |
Safe |
|
hERG Blockers |
Safe |
|
Daphnia Maga |
10.25 |
|
Micronucleos |
Toxic |
|
NR-AhR |
Safe |
|
NR-AR |
Safe |
|
NR-AR-LBD |
Safe |
|
NR-Aromatase |
Safe |
|
NR-ER |
Safe |
|
NR-ER-LBD |
Safe |
|
NR-GR |
Safe |
|
NR-PPAR-gamma |
Safe |
|
NR-TR |
Safe |
|
T. Pyriformis |
-120.44 |
|
Rat (Acute) |
2.55 |
|
Rat (Chronic Oral) |
2.19 |
|
Fathead Minnow |
4.13 |
|
Respiratory Disease |
Toxic |
|
Skin Sensitisation |
Toxic |
|
SR-ATAD5 |
Toxic |
|
SR-ARE |
Toxic |
|
SR-HSE |
Safe |
|
SR-MMP |
Safe |
|
SR-p53 |
Toxic |
|
| General Properties |
Boiling Point |
462.3 |
|
Hydration Free Energy |
-3.01 |
|
Log(D) at pH=7.4 |
2.16 |
|
Log(P) |
1.31 |
|
Log S |
-2.99 |
|
Log(Vapor Pressure) |
-9.05 |
|
Melting Point |
193.88 |
|
pKa Acid |
5.46 |
|
pKa Basic |
6.85 |
