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]
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Therapeutic Class

Antibiotics

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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:135651
CAS Number: 144-76-3
DrugBank ID: DB01145
TTD ID: D0PI2E

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.