Drug General Information
Drug ID
D0C9KD
Former ID
DNC007086
Drug Name
HOMOEPIBATIDINE
Drug Type
Small molecular drug
Indication Discovery agent Terminated [546333]
Structure
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2D MOL

3D MOL

Formula
C12H15ClN2
Canonical SMILES
C1CC2CC(C(C1)N2)C3=CN=C(C=C3)Cl.Cl.Cl
InChI
1S/C12H15ClN2.2ClH/c13-12-5-4-8(7-14-12)10-6-9-2-1-3-11(10)15-9;;/h4-5,7,9-11,15H,1-3,6H2;2*1H
InChIKey
QPEBQSQMNCADEL-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Neuronal acetylcholine receptor protein, alpha-4 chain Target Info Inhibitor [528394]
Neuronal acetylcholine receptor protein, beta-2 chain Target Info Inhibitor [528394]
Neuronal acetylcholine receptor protein, beta-4 chain Target Info Inhibitor [528394]
KEGG Pathway Neuroactive ligand-receptor interaction
Cholinergic synapse
Nicotine addictionhsa04080:Neuroactive ligand-receptor interaction
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 Chromaffin Cells
References
Ref 546333Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007531)
Ref 528394Bioorg Med Chem Lett. 2006 Nov 1;16(21):5493-7. Epub 2006 Aug 28.Epibatidine isomers and analogues: structure-activity relationships.

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