Details of the Drug

General Information of Drug (ID: DMO6HWJ)

Drug Name

Bis(4-fluorophenyl)-2-fluorophenylacetamide

Synonyms

CHEMBL272039; bis(4-fluorophenyl)-2-fluorophenylacetamide; SCHEMBL1443968; VDPKWHHLYDETTO-UHFFFAOYSA-N

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