Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00WNA
|
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| Former ID |
DIB020379
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| Drug Name |
ML381
|
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| Synonyms |
VU0488130-1
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C21H21N3O4
|
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| 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
|
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| InChIKey |
JMYDHMCYZKRDPD-AWEZNQCLSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Muscarinic acetylcholine receptor M3 | Target Info | Antagonist | [2] | |
| Muscarinic receptor | Target Info | Antagonist | [2] | ||
| 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 1 | (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 2 | Discovery, 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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