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
• #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 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

References

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