Drug General Information
Drug ID
D00WNA
Former ID
DIB020379
Drug Name
ML381
Synonyms
VU0488130-1
Drug Type
Small molecular drug
Indication Discovery agent Investigative [543209]
Structure
Download
2D MOL
Formula
C21H21N3O4
InChI
InChI=1S/C21H21N3O4/c1-14(19-9-4-5-10-22-19)24(3)21(26)20-12-18(28-23-20)13-27-17-8-6-7-16(11-17)15(2)25/h4-12,14H,13H2,1-3H3/t14-/m0/s1
InChIKey
JMYDHMCYZKRDPD-AWEZNQCLSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Muscarinic acetylcholine receptor M3 Target Info Antagonist [532729]
Muscarinic receptor Target Info Antagonist [532729]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretionhsa04020:Calcium signaling pathway
cAMP signaling pathway
PI3K-Akt signaling pathway
PANTHER Pathway Alzheimer disease-amyloid secretase pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Muscarinic acetylcholine receptor 1 and 3 signaling pathway
PathWhiz Pathway Gastric Acid ProductionPW000564:Muscle/Heart Contraction
Reactome Muscarinic acetylcholine receptors
Acetylcholine regulates insulin secretion
G alpha (q) signalling eventsR-HSA-390648:Muscarinic acetylcholine receptors
G alpha (q) signalling events
WikiPathways Monoamine GPCRs
Calcium Regulation in the Cardiac Cell
Regulation of Actin Cytoskeleton
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Integration of energy metabolism
GPCR ligand binding
GPCR downstream signaling
GPCRs, OtherWP58:Monoamine GPCRs
Secretion of Hydrochloric Acid in Parietal Cells
References
Ref 543209(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8591).
Ref 532729Discovery, synthesis and characterization of a highly muscarinic acetylcholine receptor (mAChR)-selective M5-orthosteric antagonist, VU0488130 (ML381): a novel molecular probe. ChemMedChem. 2014 Aug;9(8):1677-82.

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