Details of the Drug

General Information of Drug (ID: DMWP6OZ)

• Drug Name: N-(1,3,4-thiadiazol-2-yl)benzamide
• Synonyms: N-(1,3,4-Thiadiazol-2-yl)benzamide; RWOUBULBQYRRNL-UHFFFAOYSA-N; N-1,3,4-thiadiazol-2-yl-benzamide; 26861-95-0; BAS 03031913; AC1LC4SO; TimTec1_007967; CHEMBL390098; SCHEMBL3379803; CTK0I5904; DTXSID40341040; MolPort-001-017-069; HMS1556K03; ZINC892651; STK158583; AKOS000646792; MCULE-9389828263; N-[1,3,4]Thiadiazol-2-yl-benzamide; IDI1_033621; Benzamide, N-1,3,4-thiadiazol-2-yl-; N-([1,3,4]thiadiazol-2-yl)-benzamide; N~1~-(1,3,4-thiadiazol-2-yl)benzamide; ST50015221; phenyl-N-(1,3,4-thiadiazol-2-yl)carboxamide; SR-01000365353

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); 205.24
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C9H7N3OS
  IUPAC Name: N-(1,3,4-thiadiazol-2-yl)benzamide
  Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=NN=CS2
  InChI: InChI=1S/C9H7N3OS/c13-8(7-4-2-1-3-5-7)11-9-12-10-6-14-9/h1-6H,(H,11,12,13)
  InChIKey: RWOUBULBQYRRNL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 569548
  CAS Number: 26861-95-0
  TTD ID: D03WDY

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.