81968-16-3
Chemical Structure
Mergocriptine
Synonym(s): CBM36-733
- CAS. Nr.: 81968-16-3
- Formula:C33H43N5O5
- Molecular Weight:589.73
IUPAC Name: (6aR,9R)-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-5,7-dimethyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide
InChIKey: AFFLEALSHYGOOD-NOURLPFCSA-N
SMILES: O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@](C(C)C)3NC([C@@H](CN4C)C=C([C@@]4([H])C5)C6=CC=CC(N7)=C6C5=C7C)=O)N([C@H]2CC(C)C)C3=O
Biological Activity: Mergocriptine (CBM36-733) is a dopamine receptor agonist and SARS-CoV-2 Mpro ligand. Mergocriptine regulates ambulatory activity[1][2].
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Mergocriptine | Mergocriptine (CBM36-733) is a dopamine receptor agonist and SARS-CoV-2 Mpro ligand. Mergocriptine regulates ambulatory activity. | |||||||||||||||||||||
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- [1]. Piplani S, et al. Computational Repurposing of Drugs and Natural Products Against SARS-CoV-2 Main Protease (Mpro) as Potential COVID-19 Therapies. Front Mol Biosci. 2022 Mar 14;9:781039. [Content Brief]
- [2]. Kuribara H, et al. Behavioral study on mergocriptine (CBM36-733) by ambulatory activity in mice: repeated administration and interaction with methamphetamine. Jpn J Pharmacol. 1990 Oct;54(2):163-70. [Content Brief]
Keywords
