Details of the Drug

General Information of Drug (ID: DMMYENH)

• Drug Name: 5-cyclohexyl-1,3,4-oxadiazole-2(3H)-thione
• Synonyms: 5-cyclohexyl-1,3,4-oxadiazole-2-thiol; 173589-87-2; 5-Cyclohexyl-[1,3,4]oxadiazole-2-thiol; CHEMBL456586; 5-cyclohexyl-1,3,4-oxadiazole-2(3H)-thione; 1,3,4-Oxadiazole-2(3H)-thione, 5-cyclohexyl-; BAS 09627004; AC1Q7GLG; AC1MWQ13; MLS000719170; SCHEMBL13401036; CTK0A7651; DTXSID20396654; MolPort-000-932-255; HMS1700P22; HMS2732D23; ZINC6675630; BDBM50320725; AKOS000669727; MCULE-5633296933; SMR000291438; KB-124591; 5-cyclohexyl-3H-1,3,4-oxadiazole-2-thione; EN300-10672; 5-Cyclohexyl-3H-[1,3,4]oxadiazole-2-thione; K-5320

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); 184.26
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C8H12N2OS
  IUPAC Name: 5-cyclohexyl-3H-1,3,4-oxadiazole-2-thione
  Canonical SMILES: C1CCC(CC1)C2=NNC(=S)O2
  InChI: InChI=1S/C8H12N2OS/c12-8-10-9-7(11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H,10,12)
  InChIKey: ONBUSMDUKULCRC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3803233
  CAS Number: 173589-87-2
  TTD ID: D0Q6UT

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.