The toxicity of psychedelic LSD derivatives: 1-acetyl-LSD (ALD-52), 1-propionyl-LSD (1P-LSD), 1-butyryl-LSD (1B-LSD), 1-valeryl-LSD (1V-LSD) and 1-cyclopropylmethanoyl-LSD (1cP-LSD)-prediction of toxicological parameters relevant to clinical and forensic toxicology using multi-in silico approach.
Archives of toxicology July 1, 2026 Kamil Jurowski, Alicja Krośniak, Damian Kobylarz et al.
Lysergamide analogs such as ALD-52, 1P-LSD, 1B-LSD, 1 V-LSD, and 1cP-LSD are new psychoactive substances with hallucinogenic potential whose toxicological profiles are largely unknown. A comprehensive in silico assessment using multiple platforms predicted acute toxicity LD50 values in rats from 49 to 85 mg/kg. Organ-specific risks included elevated pulmonary risk for 1 V-LSD (92%) and 1cP-LSD (81%), and highest hematotoxicity for 1P-LSD (76%) and 1B-LSD (75%). Genotoxicity alerts were identified for ALD-52 and 1cP-LSD (up to 90% predicted probability), while all compounds were classified as non-mutagenic by OCHEM. Cardiotoxicity assessment showed strongest hERG channel inhibition for 1 V-LSD (IC50 = 1.4 µM), suggesting elevated proarrhythmic potential. Structural modifications at the N-1-acyl position influence toxicity patterns, particularly affecting cardiopulmonary and genotoxic endpoints.