Details of the Drug

General Information of Drug (ID: DM03VXN)

• Drug Name: N-(4-methylthiazol-2-yl)-2-phenylacetamide
• Synonyms: N-(4-methylthiazol-2-yl)-2-phenylacetamide; 91392-19-7; N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide; AC1LIKML; CHEMBL388116; MolPort-000-563-422; ZINC563269; AKOS001315153; MCULE-5254964555; ST50771861; N-(4-methylthiazol-2-yl)-2-phenyl-acetamide; N-(4-methyl(1,3-thiazol-2-yl))-2-phenylacetamide

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); 232.3
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C12H12N2OS
  IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-2-phenylacetamide
  Canonical SMILES: CC1=CSC(=N1)NC(=O)CC2=CC=CC=C2
  InChI: InChI=1S/C12H12N2OS/c1-9-8-16-12(13-9)14-11(15)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,13,14,15)
  InChIKey: YUZOFWPNYHCMMW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 956653
  TTD ID: D06IVU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
LOX-5 messenger RNA (ALOX5 mRNA)	TTSJ6Q4	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
LOX-5 messenger RNA (ALOX5 mRNA)	DTT	ALOX5	9.43E-03	0.14	0.28

References

• [1] Identification of natural-product-derived inhibitors of 5-lipoxygenase activity by ligand-based virtual screening. J Med Chem. 2007 May 31;50(11):2640-6.