Details of the Drug

General Information of Drug (ID: DMZ6TRV)

• Drug Name: 5-phenyl-1,3,4-oxadiazole-2(3H)-thione
• Synonyms: 3004-42-0; 5-Phenyl-1,3,4-oxadiazole-2-thiol; 5-Phenyl-1,3,4-oxadiazole-2(3H)-thione; 1,3,4-Oxadiazole-2(3H)-thione, 5-phenyl-; 2-Phenyl-1,3,4-oxadiazole-5-thiol; 1,3,4-oxadiazole-2-thiol, 5-phenyl-; EINECS 221-103-9; 5-Phenyl-[1,3,4]oxadiazole-2-thiol; 2-Fenil-5-mercapto-1,3,4-ossadiazolo; CHEMBL1164316; 1,3,4-OXADIAZOLE-5-THIOL, 2-PHENYL-; FOHWXVBZGSVUGO-UHFFFAOYSA-N; 2-Fenil-5-mercapto-1,3,4-ossadiazolo [Italian]; 5-phenyl-1,3,4-oxadiazole-2-thione; 2-Phenyl-1,3,4--oxadiazol-5-thiol

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); 178.21
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H6N2OS
  IUPAC Name: 5-phenyl-3H-1,3,4-oxadiazole-2-thione
  Canonical SMILES: C1=CC=C(C=C1)C2=NNC(=S)O2
  InChI: InChI=1S/C8H6N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h1-5H,(H,10,12)
  InChIKey: FOHWXVBZGSVUGO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 735254
  CAS Number: 3004-42-0
  TTD ID: D07KXZ

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.