Details of the Drug

General Information of Drug (ID: DM2H9ND)

• Drug Name: 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione
• Synonyms: 3-(5-Mercapto-[1,3,4]oxadiazol-2-yl)-phenol; 3-(5-mercapto-1,3,4-oxadiazol-2-yl)phenol; 299465-12-6; 3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol; CHEMBL595356; 3-(5-Mercapto-1,3,4-Oxadiazol-2-Yl)-Phenol; AO-365/08835025; 5-(3-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione; 5-[3-Hydroxyphenyl]-1,3,4-oxadiazole-2(3H)-thione; NSC524085; AC1LF1GV; Oprea1_836042; CTK8F4715; CTK8A0072; MolPort-000-932-334; ZX-AN016552; ZINC1605604; BB_SC-06098; CCG-15357; STK506749; FCH842308; BDBM50320729; BBL000571; AKOS000564154; FCH2245445; NSC-524085

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); 194.21
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H6N2O2S
  IUPAC Name: 5-(3-hydroxyphenyl)-3H-1,3,4-oxadiazole-2-thione
  Canonical SMILES: C1=CC(=CC(=C1)O)C2=NNC(=S)O2
  InChI: InChI=1S/C8H6N2O2S/c11-6-3-1-2-5(4-6)7-9-10-8(13)12-7/h1-4,11H,(H,10,13)
  InChIKey: CNOGHDSTUCQSOV-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 745318
  TTD ID: D05OML

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.