Details of the Drug

General Information of Drug (ID: DMDIX40)

Drug Name

2,2-bis-(2-fluorophenyl)-2-phenylacetamide

Synonyms

CHEMBL261606; SCHEMBL2332073

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)

323.3

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H15F2NO
IUPAC Name: 2,2-bis(2-fluorophenyl)-2-phenylacetamide
Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2F)(C3=CC=CC=C3F)C(=O)N
InChI: InChI=1S/C20H15F2NO/c21-17-12-6-4-10-15(17)20(19(23)24,14-8-2-1-3-9-14)16-11-5-7-13-18(16)22/h1-13H,(H2,23,24)
InChIKey: JYLGTXBPFRKVJO-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.