Details of the Drug

General Information of Drug (ID: DM1N08O)

• Drug Name: 2-(4-methoxyphenyl)-N-(thiazol-2-yl)acetamide
• Synonyms: 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide; AC1LGGXP; Cambridge id 5286247; Oprea1_702537; Oprea1_294245; CHEMBL227898; MolPort-001-026-371; ZINC253385; STL503574; AKOS000673322; MCULE-3731631352; BAS 00626097; KB-115460; ST50912475; 2-(4-Methoxy-phenyl)-N-thiazol-2-yl-acetamide; 2-(4-methoxyphenyl)-N-1,3-thiazol-2-ylacetamide; Z28173731

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); 248.3
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H12N2O2S
  IUPAC Name: 2-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
  Canonical SMILES: COC1=CC=C(C=C1)CC(=O)NC2=NC=CS2
  InChI: InChI=1S/C12H12N2O2S/c1-16-10-4-2-9(3-5-10)8-11(15)14-12-13-6-7-17-12/h2-7H,8H2,1H3,(H,13,14,15)
  InChIKey: SPAPWVUPZKTBMH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 770967
  TTD ID: D05WGA

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.