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

General Information of Drug (ID: DR1602)
Drug Name
SR-4233
Synonyms
SR 4233; SR-4233; SR4233; TIRAPAZAMINE; Tirapazamine [USAN:INN]; Tirazone; WIN 59075; Win-59075; 1,2,4-Benzotriazin-3-amine 1,4-Dioxide; 1,2,4-Benzotriazin-3-amine, 1,4-dioxide; 1,2,4-Benzotriazine, 3-amino-, 1,4-dioxide; 1,2,4-benzotriazin-3-amine,1,4-dioxide; 1UD32YR59G; 27314-97-2; 3-Amino-1,2,4-benzotriazine 1,4-dioxide; 3-Amino-1,2,4-benzotriazine-1,4-dioxide; 3-Aminobenzo[e][1,2,4]triazine 1,4-dioxide; 4-hydroxy-1-oxido-1,2,4-benzotriazin-1-ium-3-imine; BRN 0179322; C7H6N4O2; CHEBI:78887; NSC 130181; UNII-1UD32YR59G
Indication Alzheimer disease [ICD11: 8A20] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 178.15 Topological Polar Surface Area 89.8
Heavy Atom Count 13 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
135413511
ChEBI ID
CHEBI:78887
CAS Number
27314-97-2
TTD Drug ID
D09XQU
Formula
C7H6N4O2
Canonical SMILES
C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-]
InChI
1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)
InChIKey
ORYDPOVDJJZGHQ-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
Tirapazamine radical DM006004 N. A. Unclear 1 [2]
SR-4317 DM006005
53407239
Unclear 2 [2]
SR-4330 DM006006
88336
Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006465 SR-4233 Tirapazamine radical Unclear CYP2E1 [2]
MR006466 Tirapazamine radical SR-4317 Unclear Unclear [2]
MR006467 SR-4317 SR-4330 Unclear Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2E1 (CYP2E1) DME0013 Homo sapiens
CP2E1_HUMAN
1.14.14.1
[2]
References
1 ClinicalTrials.gov (NCT00262821) Cisplatin and Radiation Therapy With or Without Tirapazamine in Treating Patients With Cervical Cancer.
2 Molecular mechanisms of tirapazamine (SR 4233, Win 59075)-induced hepatocyte toxicity under low oxygen concentrations. Br J Cancer. 1995 Apr;71(4):780-5.

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