Drug Information

Drug General Information
Drug ID
D08BGK
Former ID
DIB020504
Drug Name
N-chloromethyl-brucine
Synonyms
N-chloromethylbrucine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540379]
Structure
Download
2D MOL
Formula
C24H28ClN2O4+
InChI
InChI=1S/C24H28ClN2O4/c1-29-17-8-15-16(9-18(17)30-2)26-21(28)10-19-22-14-7-20-24(15,23(22)26)4-5-27(20,12-25)11-13(14)3-6-31-19/h3,8-9,14,19-20,22-23H,4-7,10-12H2,1-2H3/q+1/t14-,19-,20-,22-,23-,24+,27?/m0/s1
InChIKey
GCEPQLWZBVGLQN-CQIPDZJVSA-N
PubChem Compound ID
44358908
PubChem Substance ID
103377368, 135652706, 144087524
Target and Pathway
Target(s) Muscarinic receptor Target Info Modulator (allosteric modulator) [534573]
Muscarinic acetylcholine receptor M3 Target Info Modulator (allosteric modulator) [534573]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
PI3K-Akt signaling pathway
Cholinergic synapse
Regulation of actin cytoskeletonhsa04020:Calcium signaling pathway
Regulation of actin cytoskeleton
Insulin secretion
Salivary secretion
Gastric acid secretion
Pancreatic secretion
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 Muscle/Heart ContractionPW000565:Gastric Acid Production
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
Secretion of Hydrochloric Acid in Parietal Cells
GPCR ligand binding
GPCR downstream signalingWP58:Monoamine GPCRs
Integration of energy metabolism
GPCR downstream signaling
GPCRs, Other
References
Ref 540379(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: 344).
Ref 534573Subtype-selective positive cooperative interactions between brucine analogues and acetylcholine at muscarinic receptors: radioligand binding studies. Mol Pharmacol. 1998 Mar;53(3):573-89.

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