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Human Intestinal Absorption (HIA)

One of the first barriers to be overcome by an oral drug.

Lipophilicity

How well can a molecule cross that lipid membrane?

Caco-2 Permeability

How well can a molecule be internalized and transported by these cells?

MDCK Permeability

Another barrier to be crossed by drug-like molecules.

pKa Acidic / Basic

How likely do your molecules gain protons when the pH changes?

LogS

The ability of compounds to dissolve in water.

PAMPA

Parallel Artificial Membrane Permeability Assay

Pgp substrate / inhibitor

Compiunds pumped out by P-glycoprotein, or inhibiting its activity.

Breast Cancer Resistance Protein (BCRP)

The ability of compounds to inhibit this efflux transporter. It pumps drugs out of cells

OATP1B1 / OATP1B3

Do compounds block this uptake transporter?

Human Oral Bioavailability

How much of a compound will reach the circulation?

Skin Penetration Rate

How fast will molecules cross the skin barrier?

Plasma Protein Binding

The percentage of a compound that binds reversibly to proteins in human plasma.

Volume Distribution Steady State

How extensively a drug distributes from blood/plasma into tissues.

Blood Brain Barrier Permeability (BBB)

Does a compound can distribute from systemic circulation into brain?

CYP1A2 Substrate / Inhibitor

Does a compound affect and is affected by the CYP1A2 drug-metabolizing enzyme?

CYP2C9 Substrate / Inhibitor

Does a compound affect and is affected by the CYP2C9 drug-metabolizing enzyme?

Looking for Toxicology Predictions?

Have a look at ToxSpotter™. This is our solution to predict 27 toxicity endpoints of your molecules:

Cardiac
Hepatic
Genotoxicity and DNA damage
Endocrine and nuclear receptor activity
Cellular stress
Environmental toxicity
Skin Toxicity
And more

Looking for ADME Predictions?

Have a look at ADME Hero™. This is our solution to predict 34 ADME endpoints of your molecules:

Absorption (15 endpoints)
Distribution (4 endpoints)
Metabolism (12 endpoints)
Excretion (3 endpoints)

Tell Us About Your Molecules

Bring us a handful of molecules and a question you can't currently answer: "Why my drug was not absorbed?", "Will it reaches the brain?", "Is it toxic?"

We love a challenge.❤️

Nezu