Details of the Drug

General Information of Drug (ID: DM9U4OZ)

Drug Name
Gold-complexed thiosaccharide derivative 2
Synonyms PMID26394986-Compound-67
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
2		 Molecular Weight 678.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 12
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C20H34AuO9PS
IUPAC Name
gold(1+);(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane
Canonical SMILES
CCP(CC)CC.CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]
InChI
InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13+,14+;;/m1../s1
InChIKey
AUJRCFUBUPVWSZ-QAZNCASESA-M
Cross-matching ID
PubChem CID
56946870
TTD ID
D03HEP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Signal transducer and activator of transcription 3 (STAT3) TTH8FZW STAT3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Signal transducer and activator of transcription 3 (STAT3) DTT STAT3 6.50E-03 -0.12 -0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 A STAT inhibitor patent review: progress since 2011.Expert Opin Ther Pat. 2015;25(12):1397-421.