Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M8JZ
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| Former ID |
DNC007590
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| Drug Name |
TOXIFERINE
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| Synonyms |
TOXIFERINE; UNII-9M7D9K3OJI; Toxiferine I; 9M7D9K3OJI; CHEBI:9644; Toxiferine I, 2,2',16,16'-tetradehydro-16,16',17,17'-tetrahydro-; C-Toxiferine I; 302-30-7; C40H46N4O2; SCHEMBL3132546; CHEMBL1184078; LS-174284
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C40H46N4O2+2
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| Canonical SMILES |
C[N+]12CCC34C1CC(C(=CCO)C2)C5=CN6C7C(=CN(C53)C8=CC=CC=C48)C9CC1C7(CC[N+]1(CC9=CCO)C)C1=CC=CC=C16
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| 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
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| InChIKey |
IIYHWTVUYIYKKG-QQRSFBQTSA-N
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| CAS Number |
CAS 302-30-7
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:9644
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuronal acetylcholine receptor alpha-7 (CHRNA7) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine re... J Med Chem. 2007 Sep 20;50(19):4616-29. | |||
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