Details of the Drug

General Information of Drug (ID: DM65WZ7)

• Drug Name: 5-benzhydryl-1,3,4-oxadiazole-2(3H)-thione
• Synonyms: CHEMBL593832; 5-benzhydryl-1,3,4-oxadiazole-2-thiol; 93073-39-3; 5-(diphenylmethyl)-1,3,4-oxadiazole-2-thiol; AC1MJWI7; 5-benzhydryl-3H-1,3,4-oxadiazole-2-thione; 5-benzhydryl-1,3,4-oxadiazole-2(3H)-thione; MolPort-001-902-005; ZINC17946026; STK803293; BDBM50320727; BBL012648; AKOS002344283; MCULE-6937439472; BAS 00805225; 5-Benzhydryl-[1,3,4]oxadiazole-2-thiol; SR-01000312098; 5-Diphenylmethyl-1,3,4-oxadiazole-2(3H)-thione

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); 268.3
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H12N2OS
  IUPAC Name: 5-benzhydryl-3H-1,3,4-oxadiazole-2-thione
  Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NNC(=S)O3
  InChI: InChI=1S/C15H12N2OS/c19-15-17-16-14(18-15)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,17,19)
  InChIKey: YCCKTVQLIQQBMK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3119329
  TTD ID: D01IFR

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.