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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.