Details of the Drug

General Information of Drug (ID: DMR4LJY)

• Drug Name: 2-[(2',3',4'-TRIFLUOROBIPHENYL-2-YL)OXY]ETHANOL
• Synonyms: TF5

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); 268.23
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H11F3O2
  IUPAC Name: 2-[2-(2,3,4-trifluorophenyl)phenoxy]ethanol
  Canonical SMILES: C1=CC=C(C(=C1)C2=C(C(=C(C=C2)F)F)F)OCCO
  InChI: InChI=1S/C14H11F3O2/c15-11-6-5-10(13(16)14(11)17)9-3-1-2-4-12(9)19-8-7-18/h1-6,18H,7-8H2
  InChIKey: AGXPXFPIOHNDAN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46937163
  DrugBank ID: DB08611
  TTD ID: D0M8WX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin S (CTSS)	TTUMQVO	CATS_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.