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

General Information of Drug (ID: DR1510)
Drug Name
J-005528
Synonyms
Alphazole; Amidoxal; Chemouag; Sulfafurazole; Cosoxazole; Gantrisin; Gantrisona; Gantrosan; Isoxamin; Neazolin; Neoxazol; Pancid; Renosulfan; Roxosul tablets; Soxomide; Sulfadimethylisoxazole; Sulfafurazol; Sulfagan; Sulfaisoxazole; Sulfalar; Sulfasol; Sulfasoxazole; Sulfazin; Sulfisonazole; Sulfisoxasole; Sulfisoxazol; Sulfisoxazole dialamine; Sulfizin; Sulfofurazole; Sulfoxol; Sulphafurazol; Sulphafurazole; Sulphafurazolum; Sulphaisoxazole; Sulphisoxazol; Sulphofurazole; Sulsoxin; Unisulf; Uritrisin; sulfisoxazole; 127-69-5; Accuzole; Sosol
Indication Infectious cystitis [ICD11: GC00] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 267.31 Topological Polar Surface Area 107
Heavy Atom Count 18 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
5344
PubChem SID
9526 ; 77649 ; 91794 ; 94502 ; 519811 ; 603111 ; 855841 ; 859862 ; 5632698 ; 7847516 ; 7980707 ; 8001163 ; 8149542 ; 8153283 ; 10321680 ; 10506243 ; 10589442 ; 11112277 ; 11113344 ; 11335754 ; 11360993 ; 11363918 ; 11366480 ; 11369042 ; 11372695 ; 11373896 ; 11377204 ; 11461965 ; 11466362 ; 11467482 ; 11485185 ; 11486024 ; 11489141 ; 11491543 ; 11492164 ; 11494838 ; 14848258 ; 17389726 ; 17390719 ; 24707909 ; 24899697 ; 26611934 ; 26679889 ; 26747009 ; 26751527 ; 29224396 ; 46505342 ; 47291108 ; 47440228 ; 47662260
ChEBI ID
CHEBI:102484
CAS Number
127-69-5
TTD Drug ID
D09TBD
Formula
C11H13N3O3S
Canonical SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChIKey
NHUHCSRWZMLRLA-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
Acetylsulphisoxazole DM002543 N. A. Conjugation - Acetylation 1 [3]
Sulphanilamide DM002546
5333
Unclear 1 [3]
Sulphisoxazole-N-glucuronide DM002544 N. A. Conjugation - Glucuronidation 1 [3]
Sulphisoxazole-N-sulphonate DM002545 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001306 J-005528 Acetylsulphisoxazole Conjugation - Acetylation Unclear [3]
MR001307 J-005528 Sulphisoxazole-N-glucuronide Conjugation - Glucuronidation Unclear [3]
MR001308 J-005528 Sulphisoxazole-N-sulphonate Unclear Unclear [3]
MR001309 J-005528 Sulphanilamide Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
References
1 Sulfadiazine versus sulfafurazole excretion in urine and risk of crystallization in children with conventional dosage regimen. Arzneimittelforschung. 1985;35(6):988-90.
2 Prediction of in vivo drug-drug interactions between tolbutamide and various sulfonamides in humans based on in vitro experiments. Drug Metab Dispos. 2000 Apr;28(4):475-81.
3 PubChem:J-005528

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