Details of the Drug

General Information of Drug (ID: DMZ9A6U)

• Drug Name: 2-(4-Methoxy-phenyl)-5-phenyl-thiazol-4-ol
• Synonyms: CHEMBL65940; 2-(4-Methoxyphenyl)-5-phenylthiazol-4-ol; 2-(4-Methoxy-phenyl)-5-phenyl-thiazol-4-ol; Oprea1_607545; SCHEMBL9629437; YQAKORGQQCUKEJ-UHFFFAOYSA-N; BDBM50012392

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); 283.3
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H13NO2S
  IUPAC Name: 2-(4-methoxyphenyl)-5-phenyl-1,3-thiazol-4-ol
  Canonical SMILES: COC1=CC=C(C=C1)C2=NC(=C(S2)C3=CC=CC=C3)O
  InChI: InChI=1S/C16H13NO2S/c1-19-13-9-7-12(8-10-13)16-17-15(18)14(20-16)11-5-3-2-4-6-11/h2-10,18H,1H3
  InChIKey: YQAKORGQQCUKEJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14425906
  TTD ID: D05PHI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_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
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] 4-hydroxythiazole inhibitors of 5-lipoxygenase. J Med Chem. 1991 Jul;34(7):2158-65.