Details of the Drug

General Information of Drug (ID: DM93MAX)

• Drug Name: 5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione
• Synonyms: 15264-63-8; 5-(4-Pyridyl)-1,3,4-oxadiazole-2-thiol; 5-(pyridin-4-yl)-1,3,4-oxadiazole-2-thiol; 5-pyridin-4-yl-[1,3,4]oxadiazole-2-thiol; 5-(pyridin-4-yl)-1,3,4-oxadiazole-2(3H)-thione; CHEMBL571513; 5-pyridin-4-yl-1,3,4-oxadiazole-2-thiol; 5-(4-pyridinyl)-1,3,4-oxadiazole-2-thiol; TXCXZVFDWQYTIC-UHFFFAOYSA-N; 1,3,4-Oxadiazole-2(3H)-thione,5-(4-pyridinyl)-; 1,3,4-Oxadiazole-2-thiol, 5-(4-pyridinyl)-; ZERO/005315; AC1LGNJA; ChemDiv2_000174; AC1Q7F3J; Oprea1_812023; Oprea1_290121; SCHEMBL987340; SCHEMBL17065364; CTK4C7526

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); 179.2
  Logarithm of the Partition Coefficient (xlogp); 1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H5N3OS
  IUPAC Name: 5-pyridin-4-yl-3H-1,3,4-oxadiazole-2-thione
  Canonical SMILES: C1=CN=CC=C1C2=NNC(=S)O2
  InChI: InChI=1S/C7H5N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h1-4H,(H,10,12)
  InChIKey: TXCXZVFDWQYTIC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 774383
  CAS Number: 15264-63-8
  TTD ID: D04QYN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_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
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

References

• [1] New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triaz... Bioorg Med Chem. 2010 Jun 1;18(11):4042-8.