Drug Information

Drug General Information
Drug ID
D0WV0Q
Former ID
DIB020363
Drug Name
ML169
Synonyms
VU0405652; ML-169
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540841]
Structure
Download
2D MOL
Formula
C21H17BrFN3O4S
InChI
InChI=1S/C21H17BrFN3O4S/c1-13-8-20(25-30-13)24-21(27)12-31(28,29)19-11-26(18-5-3-2-4-16(18)19)10-14-9-15(22)6-7-17(14)23/h2-9,11H,10,12H2,1H3,(H,24,25,27)
InChIKey
RUYRNYRGPSAXTK-UHFFFAOYSA-N
PubChem Compound ID
44475955
PubChem Substance ID
85756541, 131271792, 135628712, 178102089, 235343015, 252644255
Target and Pathway
Target(s) Muscarinic receptor Target Info Modulator (allosteric modulator) [532128]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
PI3K-Akt signaling pathway
Cholinergic synapse
Regulation of actin cytoskeleton
PathWhiz Pathway Muscle/Heart Contraction
Reactome Muscarinic acetylcholine receptors
Acetylcholine regulates insulin secretion
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
Secretion of Hydrochloric Acid in Parietal Cells
GPCR ligand binding
GPCR downstream signaling
References
Ref 540841(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: 5437).
Ref 532128Targeting selective activation of M(1) for the treatment of Alzheimer's disease: further chemical optimization and pharmacological characterization of the M(1) positive allosteric modulator ML169. ACS Chem Neurosci. 2012 Nov 21;3(11):884-95.

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