Details of the Drug

General Information of Drug (ID: DM592YS)

Drug Name
2,3,5,6-Tetrafluoro-4-Methoxy-Benzamide
Synonyms 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE; 2,3,5,6-tetrafluoro-4-methoxybenzamide; C8H5F4NO2; BEK; AC1LCVZS; SCHEMBL1002032; ZINC12501151; AKOS000299242
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) 223.12
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H5F4NO2
IUPAC Name
2,3,5,6-tetrafluoro-4-methoxybenzamide
Canonical SMILES
COC1=C(C(=C(C(=C1F)F)C(=O)N)F)F
InChI
InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)
InChIKey
JTXPTSGPUNTKSM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
657081
DrugBank ID
DB01827
TTD ID
D0HB9G

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Galectin-3 (LGALS3) TTFPQV7 LEG3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Galectin-3 (LGALS3) DTT LGALS3 4.24E-01 -0.05 -0.08
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.