Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08JOR
|
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| Former ID |
DNC012243
|
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| Drug Name |
(3-Hydroxy-2-methyl-phenyl)-trimethyl-ammonium
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C9H17Br2N2+
|
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| Canonical SMILES |
C[N+](C)(C)C1=CC=CC(=C1)N.Br.Br
|
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| InChI |
1S/C9H15N2.2BrH/c1-11(2,3)9-6-4-5-8(10)7-9;;/h4-7H,10H2,1-3H3;2*1H/q+1;;
|
|||
| InChIKey |
XSYKHNGMJVWEPB-UHFFFAOYSA-N
|
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Acetylcholinesterase (AChE) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Glycerophospholipid metabolism | |||
| Cholinergic synapse | ||||
| Panther Pathway | Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||
| Muscarinic acetylcholine receptor 2 and 4 signaling pathway | ||||
| Nicotinic acetylcholine receptor signaling pathway | ||||
| Pathwhiz Pathway | Phospholipid Biosynthesis | |||
| Pathway Interaction Database | ATF-2 transcription factor network | |||
| WikiPathways | Monoamine Transport | |||
| Biogenic Amine Synthesis | ||||
| Acetylcholine Synthesis | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors. J Med Chem. 1996 Dec 20;39(26):5064-71. | |||
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