Details of the Drug

General Information of Drug (ID: DMHC853)

• Drug Name: LY266500
• Synonyms: CHEMBL510900; AC1LDAWE; 2-(3-Chloro-4-fluorophenyl)-3(2H)-isothiazolone; SCHEMBL4700504; OOOJWRSQJXGEDS-UHFFFAOYSA-N; MolPort-002-906-771; ZINC12367067; BDBM50247868; AKOS022310026; MCULE-1464379671; 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one; 2-(3-Chloro-4-fluorophenyl)isothiazole-3(2H)-one

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); 229.66
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C9H5ClFNOS
  IUPAC Name: 2-(3-chloro-4-fluorophenyl)-1,2-thiazol-3-one
  Canonical SMILES: C1=CC(=C(C=C1N2C(=O)C=CS2)Cl)F
  InChI: InChI=1S/C9H5ClFNOS/c10-7-5-6(1-2-8(7)11)12-9(13)3-4-14-12/h1-5H
  InChIKey: OOOJWRSQJXGEDS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 615184
  TTD ID: D07UCF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Pseudomonas Histidine kinase AlgR2 (Pseudo algQ)	TTYX5QR	ALGQ_PSEAE	Inhibitor	[1]

References

• [1] Histidine kinases as targets for new antimicrobial agents. Bioorg Med Chem. 2002 Apr;10(4):855-67.