Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0D5QT
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| Former ID |
DNC012095
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| Drug Name |
1-(3-Bromomethyl-phenyl)-2,2,2-trifluoro-ethanone
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| Synonyms |
3-Trifluoroacetylbenzyl bromide; 370104-05-5; 1-[3-(bromomethyl)phenyl]-2,2,2-trifluoroethan-1-one; CHEMBL322727; SCHEMBL19745468; BDBM10502; MolPort-039-241-133; ZINC13864123; 1-[3-(bromomethyl)phenyl]-2,2,2-trifluoroethanone; 1-[3-(bromomethyl)-phenyl]-2,2,2-trifluoro-ethanone
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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 |
C9H6BrF3O
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| Canonical SMILES |
C1=CC(=CC(=C1)C(=O)C(F)(F)F)CBr
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| InChI |
1S/C9H6BrF3O/c10-5-6-2-1-3-7(4-6)8(14)9(11,12)13/h1-4H,5H2
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| InChIKey |
PJBFZGACRBKRKV-UHFFFAOYSA-N
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| CAS Number |
CAS 370104-05-5
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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 | A structure-based design approach to the development of novel, reversible AChE inhibitors. J Med Chem. 2001 Sep 27;44(20):3203-15. | |||
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