ArticleArchives of toxicology2026
ADME profile of phencyclidine (PCP) analogues: emerging dissociative hallucinogens 3-MeO-PCP (CAS: 72242-03-6) and 4-MeO-PCP (CAS: 2201-35-6)-a multi-in silico approach for comprehensive prediction of absorption, distribution, metabolism and excretion relevant to clinical and forensic toxicology.
Article in Archives of toxicology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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1 citing paper in PubMed.
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3 authors.
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Abstract
A multi-platform in silico workflow was applied to characterize the ADME profile of the methoxy-substituted phencyclidines 3-MeO-PCP and 4-MeO-PCP for clinical toxicological and forensic use. Predictions from ACD/Percepta, SwissADME, pkCSM, ADMETlab 3.0, DruMAP 2.0 and XenoSite were triangulated under OECD (Q)SAR principles with explicit applicability-domain checks. Both analogues were predicted to exhibit high passive permeability, high gastrointestinal absorption, and blood-brain barrier access. Distribution outputs consistently indicated extensive tissue partitioning, high plasma protein binding (~ 70-80%), and large apparent volumes of distribution. Metabolic liability was assigned primarily to CYP3A4, CYP2D6 and CYP2C19, with early O-demethylation to phenolic metabolites followed by rapid glucuronidation; modelled CYP values support clinically relevant drug-drug interaction and genotype effects. XenoSite suggested a higher theoretical bioactivation propensity for 4-MeO-PCP via arene-oxide/quinone-methide manifolds. Excretion modules predicted renal transporter involvement, while total clearance and half-life estimates showed method-dependent dispersion. The consolidated profile supports targeted bioanalysis (phenolic O-glucuronides; adduct screening in severe cases), informs matrix selection and exposure back-extrapolation, and prioritizes validation studies (recombinant CYP phenotyping, transporter assays, protein/brain binding). The workflow generalizes to related dissociatives and provides a transparent, regulator-aligned template for rapid ADME risk triage when in vivo data are limited.
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Registered trials
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