Drug Information

Drug General Information
Drug ID
D0D5QT
Former ID
DNC012095
Drug Name
1-(3-Bromomethyl-phenyl)-2,2,2-trifluoro-ethanone
Drug Type
Small molecular drug
Indication Discovery agent Investigative [526149]
Formula
C9H6BrF3O
Canonical SMILES
C1=CC(=CC(=C1)CBr)C(=O)C(F)(F)F
InChI
1S/C9H6BrF3O/c10-5-6-2-1-3-7(4-6)8(14)9(11,12)13/h1-4H,5H2
InChIKey
PJBFZGACRBKRKV-UHFFFAOYSA-N
PubChem Compound ID
10858440
Target and Pathway
Target(s) Acetylcholinesterase Target Info Inhibitor [526149]
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 526149J Med Chem. 2001 Sep 27;44(20):3203-15.A structure-based design approach to the development of novel, reversible AChE inhibitors.
Ref 526149J Med Chem. 2001 Sep 27;44(20):3203-15.A structure-based design approach to the development of novel, reversible AChE inhibitors.

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