Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D03FPQ
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| Former ID |
DIB020742
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| Drug Name |
PNU-120596
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| Synonyms |
PNU-120,596
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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 |
C13H14ClN3O4
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| Canonical SMILES |
CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2OC)OC)Cl
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| InChI |
1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
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| InChIKey |
CEIIEALEIHQDBX-UHFFFAOYSA-N
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| CAS Number |
CAS 501925-31-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
129314, 5676359, 8884674, 16573044, 26683821, 37504783, 50112882, 53184950, 103564344, 104537751, 125672889, 126731470, 135278190, 135653844, 135697954, 136349526, 136367657, 136367815, 137143665, 152254628, 152258399, 152344123, 160647236, 160821740, 160853492, 162011602, 162023499, 162038042, 162140168, 162202762, 163091667, 163378951, 163838608, 164043578, 164760646, 170485659, 177748567, 178100817, 184567545, 185998764, 188919979, 204427159, 223386118, 223515015, 223540645, 223705245, 227667037, 242059943, 247094134, 249823770
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| ChEBI ID |
CHEBI:93263
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuronal acetylcholine receptor alpha-7 (CHRNA7) | Target Info | Modulator (allosteric modulator) | [2] |
| 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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3991). | |||
| REF 2 | A novel positive allosteric modulator of the alpha7 neuronal nicotinic acetylcholine receptor: in vitro and in vivo characterization. J Neurosci. 2005 Apr 27;25(17):4396-405. | |||
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