Details of the Drug

General Information of Drug (ID: DM1N7AG)

• Drug Name: N-(thiazol-2-yl)benzamide
• Synonyms: N-(1,3-Thiazol-2-yl)benzamide; N-Thiazol-2-yl-benzamide; SCQBDADQAVXTMZ-UHFFFAOYSA-N; 13053-82-2; N-(thiazol-2-yl)benzamide; Benzamide, N-2-thiazolyl-; AC1LC4SL; AC1Q5LQU; n-thiazol-2-yl benzamide; N-(2-Thiazolyl)benzamide; MLS000711892; SCHEMBL995829; CHEMBL90846; Benzamide, N-(2-thiazolyl)-; IFLab1_003538; ZINC39994; MolPort-000-557-753; HMS1422A18; HMS2643F11; N-(1,3-Thiazol-2-yl)benzamide #; STK018313; AKOS005145274; AKOS000638160; MCULE-9395155160; IDI1_009645; SMR000281659; phenyl-N-(1,3-thiazol-2-yl)carboxamide; BAS 00332640

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); 204.25
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H8N2OS
  IUPAC Name: N-(1,3-thiazol-2-yl)benzamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=NC=CS2
  InChI: InChI=1S/C10H8N2OS/c13-9(8-4-2-1-3-5-8)12-10-11-6-7-14-10/h1-7H,(H,11,12,13)
  InChIKey: SCQBDADQAVXTMZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 569547
  CAS Number: 13053-82-2
  TTD ID: D0Z7QZ

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.