Details of the Drug

General Information of Drug (ID: DMJB7W1)

Drug Name
2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide
Synonyms 2,3-dihydro-1,4-dithiin-1,1,4,4-tetroxide; GTPL3486; SCHEMBL10948770; 5,6-Dihydro-1,4-dithiin-1,1,4,4-tetraoxide; 2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 182.2
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H6O4S2
IUPAC Name
2,3-dihydro-1,4-dithiine 1,1,4,4-tetraoxide
Canonical SMILES
C1CS(=O)(=O)C=CS1(=O)=O
InChI
InChI=1S/C4H6O4S2/c5-9(6)1-2-10(7,8)4-3-9/h1-2H,3-4H2
InChIKey
YNEKVCMDWXAQGQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
20549618
TTD ID
D0XR0L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Galanin receptor (GAL-R) TTOPAY7 GALR1_HUMAN ; GALR2_HUMAN ; GALR3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3486).
2 2,3-Dihydro-dithiin and -dithiepine-1,1,4,4-tetroxides: small molecule non-peptide antagonists of the human galanin hGAL-1 receptor. Bioorg Med Chem. 2000 Jun;8(6):1383-91.