Details of the Drug

General Information of Drug (ID: DM95QEA)

• Drug Name: Acetic acid 5-butyl-2-phenyl-thiazol-4-yl ester
• Synonyms: CHEMBL303221; Acetic acid 5-butyl-2-phenyl-thiazol-4-yl ester; SCHEMBL9630562; BDBM50012410; Acetic acid 5-butyl-2-phenyl-4-thiazolyl ester

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); 275.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C15H17NO2S
  IUPAC Name: (5-butyl-2-phenyl-1,3-thiazol-4-yl) acetate
  Canonical SMILES: CCCCC1=C(N=C(S1)C2=CC=CC=C2)OC(=O)C
  InChI: InChI=1S/C15H17NO2S/c1-3-4-10-13-14(18-11(2)17)16-15(19-13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
  InChIKey: NEOJOUJFNJKBMX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 15691792
  TTD ID: D0G3VE

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.