Details of the Drug

General Information of Drug (ID: DM4VT0Q)

• Drug Name: 3,5-difluorophenol
• Synonyms: 3,5-Difluorophenol; 2713-34-0; Phenol, 3,5-difluoro-; 3,5-difluoro phenol; 3,5-difluoro-phenol; Phenol,3,5-difluoro-; HJSSBIMVTMYKPD-UHFFFAOYSA-N; MFCD00002255; 3,5difluorophenol; 3,5-difluorphenol; 3.5-difluorophenol; PubChem1496; phenol derivative, 6; ACMC-209gvc; AC1Q4NDO; AC1L2PTJ; 3,5-Difluorophenol, 99%; KSC203O5T; SCHEMBL156265; AC1Q78L9; CHEMBL259068; CTK1A3759; BDBM26192; HJSSBIMVTMYKPD-UHFFFAOYSA-; DTXSID10181596; ABLOCK AB-12-1639; MolPort-000-154-449; ZINC406989; ACT11666; JRD-0083; CS-D1731; SBB085756; ANW-26134

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); 130.09
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C6H4F2O
  IUPAC Name: 3,5-difluorophenol
  Canonical SMILES: C1=C(C=C(C=C1F)F)O
  InChI: InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
  InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 75928
  CAS Number: 2713-34-0
  TTD ID: D0Q2XB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.