Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1909)
Drug Name
HSDB-223
Synonyms
Bacteramid; Erysipan; Sulfonamide; Estreptocida; Exoseptoplix; Prontosil Album; Proseptol; Septinal; Strepsan; Streptamin; Streptasol; Streptoclase; Streptosil; Streptozol; Streptozone; Sulfamidyl; Sulfamine; Sulfana; Sulfanalone; Sulfanidyl; Sulfanil; Sulfanilimidic acid; Sulfocidine; Sulfonamide P; Sulfonylamide; Sulphanilamide; Sulphonamide; p-Aminobenzenesulfamide; p-Aminobenzenesulfonamide; p-Aminophenylsulfonamide; p-Anilinesulfonamide; p-Sulfamidoaniline; p-Sulfamoylaniline; sulfanilamide; 4-Aminobenzenesulfonamide; 63-74-1
Indication Pneumocystis pneumonia [ICD11: CA40] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 172.21 Topological Polar Surface Area 94.6
Heavy Atom Count 11 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5333
PubChem SID
9661 ; 73452 ; 588082 ; 608543 ; 866440 ; 3134404 ; 4492185 ; 7885628 ; 7890374 ; 7980703 ; 8149606 ; 8153275 ; 10321137 ; 10531344 ; 11112170 ; 11335703 ; 11360942 ; 11363383 ; 11365945 ; 11368507 ; 11372371 ; 11374094 ; 11376669 ; 11461914 ; 11466757 ; 11467877 ; 11484567 ; 11486333 ; 11488662 ; 11491221 ; 11492213 ; 11494303 ; 14748191 ; 16957260 ; 17389527 ; 24860368 ; 24870531 ; 24899829 ; 26612000 ; 26679377 ; 26697120 ; 26702537 ; 26704167 ; 26747313 ; 26747314 ; 29224387 ; 32447070 ; 46508306 ; 46511429 ; 47193670
ChEBI ID
CHEBI:45373
CAS Number
423136-40-7
TTD Drug ID
D0T8BA
Formula
C6H8N2O2S
Canonical SMILES
C1=CC(=CC=C1N)S(=O)(=O)N
InChI
1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKey
FDDDEECHVMSUSB-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
4-methylhydroxy Sulfonamide DM003214 N. A. Oxidation - Hydrolyzationn 1 [3]
5-hydroxy Sulfonamide DM003217 N. A. Unclear 1 [3]
N4-acetyl Sulfonamide DM003216 N. A. Conjugation - Acetylation 1 [3]
N4-acetyl4-methylhydroxy Sulfonamide DM003215 N. A. Conjugation - Acetylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003650 HSDB-223 4-methylhydroxy Sulfonamide Oxidation - Hydrolyzationn Unclear [3]
MR003652 HSDB-223 N4-acetyl Sulfonamide Conjugation - Acetylation Unclear [3]
MR003653 HSDB-223 5-hydroxy Sulfonamide Unclear Unclear [3]
MR003651 4-methylhydroxy Sulfonamide N4-acetyl4-methylhydroxy Sulfonamide Conjugation - Acetylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
N-acetyltransferase 1 (NAT1) DME0050 Homo sapiens
ARY1_HUMAN
2.3.1.5
[2]
References
1 ClinicalTrials.gov (NCT00001028) A Study of Pentamidine Plus Dapsone in the Prevention of Pneumocystis Carinii Pneumonia (PCP) in HIV-Infected Patients Who Cannot Take Trimethoprim or Sulfonamides.
2 Differences in metabolism of sulfonamides predisposing to idiosyncratic toxicity. Ann Intern Med. 1986 Aug;105(2):179-84.
3 Sulfadimidine metabolism in vitro: II. Comparative studies in cultured rat, goat, sheep and cattle hepatocytes

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