Details of the Drug

General Information of Drug (ID: DMPVBC2)

Drug Name
5,5'-methylenebis(1,3,4-oxadiazole-2(3H)-thione)
Synonyms CHEMBL608132; bis-(5-mercapto-1,3,4-oxadiazol-2-yl)-methane; BDBM50304603; 90748-72-4; Bis(1,3,4-oxadiazol-2-methyl)-5-thione
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 216.2
Logarithm of the Partition Coefficient (xlogp) 0.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C5H4N4O2S2
IUPAC Name
5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-3H-1,3,4-oxadiazole-2-thione
Canonical SMILES
C(C1=NNC(=S)O1)C2=NNC(=S)O2
InChI
InChI=1S/C5H4N4O2S2/c12-4-8-6-2(10-4)1-3-7-9-5(13)11-3/h1H2,(H,8,12)(H,9,13)
InChIKey
FIBRGBFKOVAXHJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14711339
TTD ID
D0H5WY

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.