Drug Information

Drug General Information
Drug ID
D09BSE
Former ID
DNC007400
Drug Name
3-bromoboldine
Drug Type
Small molecular drug
Indication Discovery agent Investigative [525759]
Structure
Download
2D MOL

3D MOL
Formula
C19H20BrNO4
Canonical SMILES
CN1CCC2=C(C(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O)Br
InChI
1S/C19H20BrNO4/c1-21-5-4-10-15-12(21)6-9-7-13(22)14(24-2)8-11(9)16(15)19(25-3)18(23)17(10)20/h7-8,12,22-23H,4-6H2,1-3H3/t12-/m0/s1
InChIKey
ORZPHDSNVICTTE-LBPRGKRZSA-N
PubChem Compound ID
10409038
Target and Pathway
Target(s) D(2) dopamine receptor Target Info Inhibitor [525759]
Dopamine D1 receptor Target Info Inhibitor [525759]
Neuronal acetylcholine receptor protein, alpha-7 chain Target Info Inhibitor [528761]
KEGG Pathway Rap1 signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gap junction
Dopaminergic synapse
Parkinson's disease
Cocaine addiction
Alcoholismhsa04020:Calcium signaling pathway
Amphetamine addiction
Morphine addiction
Cholinergic synapse
Nicotine addiction
Chemical carcinogenesis
PANTHER Pathway 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 pathwayP00003:Alzheimer disease-amyloid secretase pathway
Nicotinic acetylcholine receptor signaling pathway
PathWhiz Pathway Dopamine Activation of Neurological Reward System
Reactome Dopamine receptors
G alpha (i) signalling eventsR-HSA-390651:Dopamine receptors
G alpha (s) signalling eventsR-HSA-629594:Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
WikiPathways 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
Nicotine Activity on Dopaminergic NeuronsWP666:Hypothetical Network for Drug Addiction
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
References
Ref 525759J Nat Prod. 2000 Apr;63(4):480-4.Halogenated boldine derivatives with enhanced monoamine receptor selectivity.
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.