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]
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
PubChem CID
20684851
ChEBI ID
CHEMBL260736
TTD ID
D06ZNX
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.