Molecular Connectivity Analysis of Hallucinogenic Mescaline Analogs
Richard A Glennon, Lemont B. Kier, Alexander T. Shulgin
Journal of Pharmaceutical Sciences July 1, 1979 DOI: 10.1002/jps.2600680733 (opens in new tab)
Study at a glance
AI-extracted from the abstract| Characteristics | Computational analysis Peer reviewed |
|---|---|
| Topics | Mescaline |
| Keywords | Psychotomimetic Hallucinogen Potency Stereochemistry Substituent Pharmacology |
| Citations | 29 |
| Key points | A two-term equation based on molecular connectivity explained 94% of the variance in hallucinogenic potency among ten mescaline analogs, with 2,5-dimethoxy substitution and the 4-position substituent being key determinants. |
Abstract
The hallucinogenic (psychotomimetic) potency of 10 mescaline analogs was examined by molecular connectivity analysis. Potencies could be described by a two-term relating equation, which explained 94% of the variance in activity, on the basis of structural variation, 2,5-Dimethoxy substitution as well as the nature of the 4-position substituent played an important role in determining hallucinogenic potency. With the relating equation, reasonable potency predictions were made for six compounds not included in the initial investigation.
Citations in the library
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- MDMA (3,4-Methylenedioxymethamphetamine) Analogues as Tools to Characterize MDMA-Like Effects: An Approach to Understand Entactogen Pharmacology Current Neuropharmacology August 1, 2013
- Identification and characterization of 2,5-dimethoxy-4-nitro-β-phenethylamine (2C-N)--a new member of 2C-series of designer drug. Forensic Science International October 10, 2012
- Identification and characterization of 2,5-dimethoxy-3,4-dimethyl-β-phenethylamine (2C-G)--a new designer drug. Drug Testing and Analysis July 1, 2013
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