UCD0120

Admitted on a publication

This compound is in the archive because a named paper characterized it. Basargin, Domokosa, Hennessey et al., Proceedings of the National Academy of Sciences 2026 prints it as UCD0120 (PMID 42709856). It reports Ki at psychLight2 (Table S1, Fig. 2A); EC50 and Emax of Gq activation at 5-HT2A, 5-HT2B and 5-HT2C (Table S2, Figs. 3-5); head-twitch dose-response in mice at 0.1, 1 and 10 mg/kg (Fig. 7B), which it induced — the only one of the nine ergologs that did; the head-twitch time course in 2-minute bins (Fig. S14C); and brain and plasma concentrations at 2, 5, 15 and 30 min after 10 mg/kg IP (Fig. S14D). This is the compound behind the paper's central conclusion, that the A and D rings of the ergoline core are the minimal pharmacophore required for LSD's hallucinogenic effects.

ChEMBL holds no molecule whose InChIKey skeleton matches DRQYLJPWAXRRHI, so it holds no measurement for this compound and cannot be its source. PubChem holds the structure and nothing else about it — one SureChEMBL identifier, no measurement, no literature link — which is exactly the division of labour this file rests on: the paper supplies the reason to hold the compound and every value on it, PubChem supplies an identity the weekly audit can re-ask.

Identity The SI names the free base 'N,N-diethyl-1-methyl-5-phenyl-1,2,3,6-tetrahydropyridine-3-carboxamide' where it reports the yield and characterization (Experimental Procedures for the Synthesis of UCD0179 and UCD0120, p. S42). OPSIN reads that name as DRQYLJPWAXRRHI-UHFFFAOYSA-N, which is the InChIKey PubChem holds for CID 156277299; formula C17H24N2O, and the SI's HRMS for the compound is [M+H]+ calcd. 273.1961 for C17H25N2O+, found 273.1961. No synonym is claimed and none is available: PubChem lists exactly one name for this CID, the SureChEMBL identifier SCHEMBL23248799, and gives the record its own computed title 'N,N-diethyl-1-methyl-5-phenyl-3,6-dihydro-2H-pyridine-3-carboxamide' — the same molecule under a different hydro-prefix convention. Under the old synonym fence that difference refused the compound; the parser settles it without anyone here having to rule on two nomenclature styles. The paper's material is the hydrochloride and this record is the free base. PubChem's structure carries no stereochemistry at C3, matching the racemate the paper made; the Discussion notes the Emax may combine opposing C8-equivalent epimers and asks for future work on whether the head twitch comes from one enantiomer.

Read Two files, both read in full. The article as published (PNAS 2026;123(38):e2603412123, open access under CC BY): Significance, abstract, Introduction, all of Results, Discussion, Methods, the captions of Figs. 1-8, and the reference list. And the Supporting Information (Appendix 01, pnas.2603412123.sapp.pdf, 144 pp., retrieved from PNAS on 2026-09-09): the synthetic schemes S1-S9 and S12, the Experimental Procedures section carrying the systematic name, salt form, NMR, LC-MS, HRMS, IR and UHPLC purity for every ergolog, Tables S1-S5, and the pharmacology methods 'Radioligand Binding Assays', '5-HT2 Gq dissociation BRET Assays' and 'beta-Arrestin2 Recruitment BRET Assays'. The SI is what fixes each of the paper's compound codes to a molecule, and without it none of this would be admissible.