Drug Information

Drug General Information
Drug ID
D08KNP
Former ID
DIB020497
Drug Name
N-benzyl brucine
Synonyms
BNO
Drug Type
Small molecular drug
Indication Discovery agent Investigative [540280]
Structure
Download
2D MOL
Formula
C30H33N2O4+
InChI
InChI=1S/C30H33N2O4/c1-34-23-13-21-22(14-24(23)35-2)31-27(33)15-25-28-20-12-26-30(21,29(28)31)9-10-32(26,17-19(20)8-11-36-25)16-18-6-4-3-5-7-18/h3-8,13-14,20,25-26,28-29H,9-12,15-17H2,1-2H3/q+1/t20-,25-,26-,28-,29-,30+,32?/m0/s1
InChIKey
XFMQETLKDRNYRE-QIBSSCBHSA-N
PubChem Compound ID
44358893
PubChem Substance ID
103377311, 135652694
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 540280(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: 332).
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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