Drug General Information
Drug ID
D0V2KB
Former ID
DNC007399
Drug Name
Predicentrine methiodide
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528761]
Structure
Download
2D MOL

3D MOL

Formula
C21H26INO4
Canonical SMILES
C[N+]1(CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC)OC)O)C.[<br />I-]
InChI
1S/C21H25NO4.HI/c1-22(2)7-6-12-9-16(23)21(26-5)20-14-11-18(25-4)17(24-3)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H/t15-;/m0./s1
InChIKey
FAVKNAGZQSEXNM-RSAXXLAASA-N
PubChem Compound ID
Target and Pathway
Target(s) Neuronal acetylcholine receptor protein, alpha-4 chain Target Info Inhibitor [528761]
Neuronal acetylcholine receptor protein, beta-2 chain Target Info Inhibitor [528761]
KEGG Pathway Neuroactive ligand-receptor interaction
Cholinergic synapse
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
Nicotine addiction
PANTHER Pathway Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathwayP00044:Nicotinic acetylcholine receptor signaling pathway
Nicotine pharmacodynamics pathway
Reactome Highly sodium permeable acetylcholine nicotinic receptors
Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
Highly calcium permeable nicotinic acetylcholine receptorsR-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 NeuronsWP706: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 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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