Details of the Drug

General Information of Drug (ID: DMAYX6P)

Drug Name
Sulfoxone
Synonyms
Aldapsone; Aldesulfon; Diamidin; Diason; Diazon; Novotrone; Adesulfone sodium; Diasone sodium enterab; Sodium aldesulphone; Sodium sulfoxone; [4-[4-(sulfinomethylamino)phenyl]sulfonylanilino]methanesulfinic acid; [sulfonylbis(4,1-phenyleneimino)]dimethanesulfinic acid
Indication
Disease Entry ICD 11 Status REF
Dermatitis herpetiformis EB44 Approved [1]
Therapeutic Class
Antibiotics
Affected Organisms
Enteric bacteria and other eubacteria
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 404.5
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 10
ADMET Property
Absorption
The drug is rapidly absorbed []
Half-life
The concentration or amount of drug in body reduced by one-half in 3 - 8 hours [2]
Metabolism
The drug is metabolized via the hepatic []
Chemical Identifiers
Formula
C14H16N2O6S3
IUPAC Name
[4-[4-(sulfinomethylamino)phenyl]sulfonylanilino]methanesulfinic acid
Canonical SMILES
C1=CC(=CC=C1NCS(=O)O)S(=O)(=O)C2=CC=C(C=C2)NCS(=O)O
InChI
InChI=1S/C14H16N2O6S3/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20)
InChIKey
NEDPPCHNEOMTJV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5351
ChEBI ID
CHEMBL135651
CAS Number
144-76-3
UNII
0G3C18OH4D
DrugBank ID
DB01145
TTD ID
D0PI2E
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Candida Mannose-6-phosphate isomerase (Candi PMI1) TT915ZD MPI_CANAL Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Antifungal Activity of Ag(I) and Zn(II) Complexes of Sulfacetamide Derivatives. Met Based Drugs. 2000;7(1):49-54.