Drug Information

Drug General Information
Drug ID
D0LH4L
Former ID
DNC007398
Drug Name
BOLDINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528761]
Structure
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2D MOL

3D MOL
Formula
C19H21NO4
Canonical SMILES
CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O
InChI
1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3
InChIKey
LZJRNLRASBVRRX-UHFFFAOYSA-N
PubChem Compound ID
10154
Target and Pathway
Target(s) Neuronal acetylcholine receptor protein, beta-2 chain Target Info Inhibitor [528761]
D(2) dopamine receptor Target Info Inhibitor [525759]
Dopamine D1 receptor Target Info Inhibitor [525759]
Neuronal acetylcholine receptor protein, alpha-4 chain Target Info Inhibitor [528761]
KEGG Pathway Neuroactive ligand-receptor interaction
Cholinergic synapse
Nicotine addictionhsa04015:Rap1 signaling pathway
cAMP signaling pathway
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa04020:Calcium signaling pathway
Amphetamine addiction
Morphine addiction
Alcoholismhsa04080:Neuroactive ligand-receptor interaction
Nicotine addiction
PANTHER Pathway Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Dopamine receptor mediated signaling pathway
Nicotine pharmacodynamics pathwayP05912:Dopamine receptor mediated signaling pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathway
PathWhiz Pathway Dopamine Activation of Neurological Reward System
Reactome Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
Highly calcium permeable nicotinic acetylcholine receptorsR-HSA-390651:Dopamine receptors
G alpha (i) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (s) signalling eventsR-HSA-629587:Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable nicotinic acetylcholine receptors
WikiPathways SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
Nicotine Activity on Dopaminergic NeuronsWP666:Hypothetical Network for Drug Addiction
Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
Genes and (Common) Pathways Underlying Drug Addiction
GPCR ligand binding
GPCR downstream signaling
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
Nicotine Activity on Dopaminergic Neurons
References
Ref 528761Bioorg Med Chem. 2007 May 15;15(10):3368-72. Epub 2007 Mar 13.Aporphine metho salts as neuronal nicotinic acetylcholine receptor blockers.
Ref 525759J Nat Prod. 2000 Apr;63(4):480-4.Halogenated boldine derivatives with enhanced monoamine receptor selectivity.
Ref 528761Bioorg Med Chem. 2007 May 15;15(10):3368-72. Epub 2007 Mar 13.Aporphine metho salts as neuronal nicotinic acetylcholine receptor blockers.

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