Parameter

Compound 11 (Most active)

Hydroxyflotamide

Absorption

Result

Probability

Result

Probability

Blood-Brain Barrier

BBB+

0.8199

BBB-

0.8396

Human Intestinal Absorption

HIA+

0.9623

HIA+

0.9625

Caco-2 Permeability

Caco2-

0.6938

Caco2-

0.5898

P-glycoprotein Substrate

Non-substrate

0.5229

Non-substrate

0.6835

P-glycoprotein Inhibitor

Non-inhibitor

0.6193

Non-inhibitor

0.6634

Non-inhibitor

0.9403

Non-inhibitor

0.8954

Renal Organic Cation Transporter

Non-inhibitor

0.8429

Non-inhibitor

0.9684

Distribution Metabolism

CYP450 2C9 Substrate

Non-substrate

0.7697

Non-substrate

0.8100

CYP450 2D6 Substrate

Non-substrate

0.8041

Non-substrate

0.8308

CYP450 3A4 Substrate

Non-substrate

0.5490

Substrate

0.5225

CYP450 1A2 Inhibitor

Non-inhibitor

0.8211

Non-inhibitor

0.6559

CYP450 2C9 Inhibitor

Non-inhibitor

0.6976

Inhibitor

0.5266

CYP450 2D6 Inhibitor

Non-inhibitor

0.7479

Non-inhibitor

0.8475

CYP450 2C19 Inhibitor

Non-inhibitor

0.6359

Inhibitor

0.5260

CYP450 3A4 Inhibitor

Non-inhibitor

0.8317

Inhibitor

0.5374

CYP Inhibitory Promiscuity

Low CYP Inhibitory Promiscuity

0.5981

High CYP Inhibitory Promiscuity

0.5357

Excretion Toxicity

Human Ether-a-go-go-Related Gene Inhibition

Weak inhibitor

0.9390

Weak inhibitor

0.9957

AMES Toxicity

Non AMES toxic

0.5689

AMES toxic

0.5150

Carcinogens

Non-carcinogens

0.6999

Carcinogens

0.5530

Fish Toxicity

High FHMT

0.9702

High FHMT

0.9984

Tetrahymena Pyriformis Toxicity

High TPT

0.8713

High TPT

0.9757

Honey Bee Toxicity

Low HBT

0.8241

Low HBT

0.8084

Biodegradation

Not ready biodegradable

0.9876

Not ready biodegradable

1.0000

Acute Oral Toxicity

III

0.5839

III

0.5581

Carcinogenicity (Three-class)

Non-required

0.5815

Non-required

0.4472