Main features

A (Absorption)
  • Human intestinal absorption (HIA)
  • Human oral bioavailability (HOB)
  • Caco-2 permeability
D (Distribution)
  • Plasma protein binding (PPB)
  • P-glycoprotein substrate, inhibitor
  • Blood-brain barrier penetration (BBB)
  • Blood-placenta barrier (BPB)
M (Metabolism)
  • Cytochrome P450 (CYP450) substrate, inhibitor
    • Substrate: CYP2C9, 2D6, 3A4
    • Inhibitor: CYP1A2, 2D6, 2C9, 2C19, 3A4
  • Pharmacokinatics transporters: BRCPi, BSEPi, OCT1i, OCT2i, MATE1i, OATP1b1i, OATP1b3i, OATP2b1i
E (Excretion)
  • Half time (t1/2)
  • Renal clearance
T (Toxicity)
  • Organ toxicity
    • Drug-induced liver injury
    • Human either-a-go-go-ralted gene (hERG) inhibition
    • Acute toxicity
    • Eye injury & Eye corrosion
  • Genomic toxicity
    • Ames mutagenesis
    • Carcinogenesis
    • Micronucleus assay
  • Eco-toxicity
    • Tetrahymena Pyriformis toxicity
    • Phytoplankton toxicity
    • Honey bee toxicity
    • Avian toxicity
    • Biodegradation

What is admetSAR

admetSAR creates a user-friendly interface to search for ADME/T (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties profiling by name, CASRN and similarity search. admetSAR can predict about 50 ADMET endpoints with QSAR models.

News and updates

  • August 28, 2018, The paper of admetSAR 2.0 was published by Bioinformatics.
  • July 18, 2018, The admetSAR 2.0 was released.
  • October 23, 2012, The paper of admetSAR was published by J. Chem. Inf. Model.

Functions of admetSAR

Prediction

admetSAR can help researchers, PK specialists to do as follows:

  • Customizable ADMET Risk filters.
  • QSAR-based ADMET properties Prediction.
  • Predict toxicity for environmental chemicals.
  • Environmental Hazard Assessment.
ADMETopt

ADMETopt can help researchers optimize drug leads according to the ADMET properties

Copyright @ 2018 admetSAR