Details of the Drug

General Information of Drug (ID: DMCKBQY)

• Drug Name: 5-phenyl-1,3,4-thiadiazole-2(3H)-thione
• Synonyms: 5-Phenyl-1,3,4-thiadiazole-2-thiol; 5585-19-3; 1,3,4-Thiadiazole-2-thiol, 5-phenyl-; L 1542; 2-Mercapto-5-fenil-1,3,4-tiadiazolo [Italian]; 5-Phenyl-1,3,4-thiadiazole-2(3H)-thione; CHEMBL596215; 2-mercapto-5-phenyl-1,3,4-thiadiazole; 2-Mercapto-5-fenil-1,3,4-tiadiazolo; AC1Q7GLK; AC1MHZ9V; SCHEMBL969040; DTXSID40204444; ZTLMHGOWADYAHM-UHFFFAOYSA-N; MolPort-000-932-663; ZINC13532595; MFCD01681863; BDBM50320718; 5-phenyl-1,3,4-thiadiazol-2-thiol; AKOS003056166; MCULE-7311616477; NE54511; LS-150315

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); 194.3
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H6N2S2
  IUPAC Name: 5-phenyl-3H-1,3,4-thiadiazole-2-thione
  Canonical SMILES: C1=CC=C(C=C1)C2=NNC(=S)S2
  InChI: InChI=1S/C8H6N2S2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
  InChIKey: ZTLMHGOWADYAHM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3035373
  CAS Number: 5585-19-3
  TTD ID: D0N3DW

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.