|
| Absorption |
Caco-2 (logPaap) |
-6.04 |
|
Human Oral Bioavailability 20% |
Non-Bioavailable |
|
Human Intestinal Absorption |
Non-Absorbed |
|
Madin-Darby Canine Kidney |
8.21 |
|
Human Oral Bioavailability 50% |
Non-Bioavailable |
|
P-Glycoprotein Inhibitor |
Inhibitor |
|
P-Glycoprotein Substrate |
Substrate |
|
Skin Permeability |
1848.77 |
|
| Distribution |
Blood-Brain Barrier (Central Nervous System) |
-3.74 |
|
Blood-Brain Barrier |
Penetrable |
|
Fraction Unbound (Human) |
1.24 |
|
Plasma Protein Binding |
94.66 |
|
Steady State Volume of Distribution |
4.08 |
|
| Metabolism |
Breast Cancer Resistance Protein |
Non-Inhibitor |
|
CYP 1A2 Inhibitor |
Non-Inhibitor |
|
CYP 1A2 substrate |
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 |
Inhibitor |
|
| Excretion |
Clearance |
9.88 |
|
Organic Cation Transporter 2 |
Non-Inhibitor |
|
Half-Life of Drug |
Half-Life < 3hs |
|
| Toxicity |
AMES Mutagenesis |
Toxic |
|
Avian |
Safe |
|
Bee |
Toxic |
|
Bioconcentration Factor |
-44.78 |
|
Biodegradation |
Safe |
|
Carcinogenesis |
Safe |
|
Crustacean |
Toxic |
|
Liver Injury I |
Safe |
|
Eye Corrosion |
Safe |
|
Eye irritation |
Safe |
|
Maximum Tolerated Dose |
-1.23 |
|
Liver Injury II |
Toxic |
|
hERG Blockers |
Toxic |
|
Daphnia Maga |
8.75 |
|
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 |
Toxic |
|
T. Pyriformis |
-3352349.59 |
|
Rat (Acute) |
2.92 |
|
Rat (Chronic Oral) |
2.35 |
|
Fathead Minnow |
4233.47 |
|
Respiratory Disease |
Toxic |
|
Skin Sensitisation |
Safe |
|
SR-ATAD5 |
Safe |
|
SR-ARE |
Safe |
|
SR-HSE |
Safe |
|
SR-MMP |
Safe |
|
SR-p53 |
Safe |
|
| General Properties |
Boiling Point |
373478.01 |
|
Hydration Free Energy |
-2.92 |
|
Log(D) at pH=7.4 |
4.38 |
|
Log(P) |
3.84 |
|
Log S |
-5.39 |
|
Log(Vapor Pressure) |
-12226.65 |
|
Melting Point |
286.42 |
|
pKa Acid |
-52.84 |
|
pKa Basic |
5.27 |
