Details of the Drug

General Information of Drug (ID: DMJXAF7)

Drug Name

2,2,2-tris-(3-fluorophenyl)-acetamide

Synonyms

CHEMBL260736; SCHEMBL13950949

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

341.3

Logarithm of the Partition Coefficient (xlogp)

4.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H14F3NO
IUPAC Name: 2,2,2-tris(3-fluorophenyl)acetamide
Canonical SMILES: C1=CC(=CC(=C1)F)C(C2=CC(=CC=C2)F)(C3=CC(=CC=C3)F)C(=O)N
InChI: InChI=1S/C20H14F3NO/c21-16-7-1-4-13(10-16)20(19(24)25,14-5-2-8-17(22)11-14)15-6-3-9-18(23)12-15/h1-12H,(H2,24,25)
InChIKey: NYTZBODQYAXXMZ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-activated potassium channel (KCN)	TTMNI76	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Novel inhibitors of the Gardos channel for the treatment of sickle cell disease. J Med Chem. 2008 Feb 28;51(4):976-82.