Drug Information

Drug General Information
Drug ID
D0M8JZ
Former ID
DNC007590
Drug Name
TOXIFERINE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528997]
Structure
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2D MOL

3D MOL
Formula
C40H46N4O2+2
Canonical SMILES
C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C<br />48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
InChI
1S/C40H46N4O2/c1-43-15-13-39-31-7-3-5-9-33(31)41-22-30-28-20-36-40(14-16-44(36,2)24-26(28)12-18-46)32-8-4-6-10-34(32)42(38(30)40)21-29(37(39)41)27(19-35(39)43)25(23-43)11-17-45/h3-12,21-22,27-28,35-38,45-46H,13-20,23-24H2,1-2H3/q+2/b25-11-,26-12-,29-21-,30-22-/t27-,28-,35-,36-,37-,38-,39+,40+,43-,44-/m0/s1
InChIKey
IIYHWTVUYIYKKG-QQRSFBQTSA-N
CAS Number
CAS 302-30-7
PubChem Compound ID
5281411
Target and Pathway
Target(s) Neuronal acetylcholine receptor protein, alpha-7 chain Target Info Inhibitor [528997]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Cholinergic synapse
Nicotine addiction
Chemical carcinogenesis
PANTHER Pathway Alzheimer disease-amyloid secretase pathway
Nicotinic acetylcholine receptor signaling pathway
Reactome Highly calcium permeable postsynaptic nicotinic acetylcholine receptors
WikiPathways SIDS Susceptibility Pathways
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell
References
Ref 528997J Med Chem. 2007 Sep 20;50(19):4616-29. Epub 2007 Aug 28.Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine receptor.
Ref 528997J Med Chem. 2007 Sep 20;50(19):4616-29. Epub 2007 Aug 28.Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine receptor.

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