In Vitro ADME Assays and Services

Kinetic solubility: The maximum concentration of a compound that dissolves in a solvent within a specific timeframe, providing insight into dissolution behavior.

Thermodynamic solubility: The equilibrium concentration of a compound in solution, providing information about long-term solubility characteristics.

LogP: The logarithmic ratio of the concentration of a compound in octanol to its concentration in water at equilibrium.

LogD: An extension of LogP that considers the ionization of acidic or basic functional groups.

Chemical stability in buffer: Evaluation of compound potency, safety, and integrity under defined buffer conditions, including the effects of pH, temperature, and reactive impurities.

Liver microsomes, S9, and hepatocyte stability: Assessment of compound resilience in the presence of hepatic enzymes and cells, simulating conditions encountered during drug metabolism.

Biological matrix stability: Evaluation in plasma, blood, and tissue homogenates to assess stability in physiological environments.

Glutathione (GSH) stability: Evaluation of compound integrity in the presence of glutathione, providing insight into potential interactions and degradation susceptibility.

Parallel Artificial Membrane Permeability Assay (PAMPA): Measurement of compound permeability across an artificial lipid membrane as a predictive tool for oral absorption.

Caco-2: Evaluation of compound transport across human intestinal epithelial cells to assess absorption potential.

MDCK-MDR1 and MDCK-BCRP: Assessment of the impact of P-glycoprotein (MDR1) and breast cancer resistance protein (BCRP) efflux transporters on permeability.

ABC transporter assay: Cell-based and vesicle assays covering P-glycoprotein (P-gp), breast cancer resistance protein (BCRP), multidrug resistance-associated proteins (MRPs) 1–4, and bile salt export pump (BSEP).

SLC transporter assay: Stable-transfected HEK293 cell assays covering OATP1B1, OATP1B3, OAT1, OAT3, OCT1, OCT2, MATE1, and MATE2K.

CYP phenotyping: Identification of the specific cytochrome P450 isoforms involved in compound metabolism to support biotransformation pathway analysis.

CYP isoforms: 1A2, 2B6, 2C8, 2C9, 2C19, 2D6, and 3A4.

DDI: Drug–drug interaction studies assess how one drug may affect the pharmacokinetics of another drug, providing information for co-administration risk assessment.

TDI: Time-dependent inhibition studies assess whether a compound inhibits enzymes in a time-dependent manner, potentially affecting its own metabolism and causing drug–drug interactions.

Plasma binding: Investigation of the extent to which a drug binds to proteins in blood plasma, influencing distribution and pharmacokinetics.

Tissue homogenates: Evaluation of drug binding to proteins in tissue homogenates to support tissue distribution analysis.

BSA or target protein: Assessment of compound interaction with specific proteins that may influence distribution and efficacy.

Blood–plasma ratio: Measurement of compound distribution between whole blood and plasma, providing information about blood-cell binding, pharmacokinetics, pharmacodynamics, and potential hematotoxicity.

MetID in vitro: Use of liver microsomes and hepatocytes to identify and characterize metabolites produced during drug metabolism.

MetID in vivo: Analysis of metabolites in plasma, urine, feces, and bile to support comprehensive understanding of drug metabolism in living organisms.

HepG2: Cytotoxicity studies using HepG2 cells assess potential toxic effects on liver cells and support evaluation of the compound safety profile.

Primary human hepatocytes: Evaluation of compound effects on the viability of human liver cells to support safety assessment during drug development.