Details of the Drug

General Information of Drug (ID: DMTCA2Z)

• Drug Name: N-(4-methylthiazol-2-yl)benzamide
• Synonyms: N-(4-methylthiazol-2-yl)benzamide; N-(4-methyl-1,3-thiazol-2-yl)benzamide; 37529-67-2; N-(4-Methyl-thiazol-2-yl)-benzamide; CHEMBL209410; AC1LEZPY; BAS 00470405; Enamine_001521; TimTec1_007096; MLS001212480; SCHEMBL1270190; MolPort-000-432-004; HMS2828E18; HMS1554C12; HMS1398F03; ZINC5712475; BDBM50186335; AKOS000591433; AKOS002234121; MCULE-9983922498; DA-42608; SMR000514239; KB-109083; N-(4-Methylthiazol-2-yl)benzenecarboxamide; N-(4-methyl(1,3-thiazol-2-yl))benzamide; ST50002848; FT-0770347; EU-0040062; BB 0221669; SR-01000449566

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); 218.28
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C11H10N2OS
  IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)benzamide
  Canonical SMILES: CC1=CSC(=N1)NC(=O)C2=CC=CC=C2
  InChI: InChI=1S/C11H10N2OS/c1-8-7-15-11(12-8)13-10(14)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)
  InChIKey: NEPIZAVYXKHUCD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 695178
  TTD ID: D01IMJ

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.