Drug Information

Drug General Information
Drug ID
D08JOR
Former ID
DNC012243
Drug Name
(3-Hydroxy-2-methyl-phenyl)-trimethyl-ammonium
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534296]
Structure
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2D MOL

3D MOL
Formula
C9H17Br2N2+
Canonical SMILES
C[N+](C)(C)C1=CC=CC(=C1)N.Br.Br
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
PubChem Compound ID
46905907
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [534296]
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
Pathway Interaction Database ATF-2 transcription factor network
PathWhiz Pathway Phospholipid Biosynthesis
WikiPathways Monoamine Transport
Biogenic Amine Synthesis
Acetylcholine Synthesis
Integrated Pancreatic Cancer Pathway
References
Ref 534296J Med Chem. 1996 Dec 20;39(26):5064-71.Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors.
Ref 534296J Med Chem. 1996 Dec 20;39(26):5064-71.Structure-based alignment and comparative molecular field analysis of acetylcholinesterase inhibitors.

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