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

General Information of Drug (ID: DR3243)
Drug Name
Tempol
Synonyms MTS-01; Tempol (hypertension); Tempol (hypertension), Cary; Tempol (gel formulation, hair loss), Mitos
Indication Spinal cord injury [ICD11: ND51] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 172.24 Topological Polar Surface Area 24.5
Heavy Atom Count 12 Rotatable Bond Count 0
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
137994
CAS Number
2226-96-2
TTD Drug ID
D04GZS
Formula
C9H18NO2
Canonical SMILES
CC1(CC(CC(N1[O])(C)C)O)C
InChI
InChI=1S/C9H18NO2/c1-8(2)5-7(11)6-9(3,4)10(8)12/h7,11H,5-6H2,1-4H3
InChIKey
UZFMOKQJFYMBGY-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
Tempol Metabolite T1 DM015952
17824458
Unclear - Unclear 1 [2]
Tempol Metabolite T2 DM015073
75471
Unclear - Unclear 2 [2]
Tempol Metabolite T3 DM016019
23273482
Unclear - Unclear 2 [2]
Tempol Metabolite T4 DM016405
91599449
Unclear - Unclear 2 [2]
Tempol Metabolite T7 DM019870 N. A. Unclear - Unclear 2 [2]
Tempol Metabolite T8 DM019869 N. A. Unclear - Unclear 2 [2]
Tempol Metabolite T10 DM019874 N. A. Unclear - Unclear 3 [2]
Tempol Metabolite T5 DM019871 N. A. Unclear - Unclear 3 [2]
Tempol Metabolite T6 DM019872 N. A. Unclear - Unclear 3 [2]
Tempol Metabolite T9 DM019873 N. A. Unclear - Unclear 3 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012627 Tempol Tempol Metabolite T1 Unclear - Unclear Unclear [2]
MR012628 Tempol Metabolite T1 Tempol Metabolite T3 Unclear - Unclear CYP [2]
MR012629 Tempol Metabolite T1 Tempol Metabolite T2 Unclear - Unclear CYP [2]
MR012630 Tempol Metabolite T1 Tempol Metabolite T8 Unclear - Unclear UGT [2]
MR012631 Tempol Metabolite T1 Tempol Metabolite T7 Unclear - Unclear GT [2]
MR012632 Tempol Metabolite T1 Tempol Metabolite T4 Unclear - Unclear CYP [2]
MR012634 Tempol Metabolite T2 Tempol Metabolite T6 Unclear - Unclear UGT [2]
MR012633 Tempol Metabolite T3 Tempol Metabolite T5 Unclear - Unclear UGT [2]
MR012636 Tempol Metabolite T7 Tempol Metabolite T10 Unclear - Unclear UGT [2]
MR012635 Tempol Metabolite T8 Tempol Metabolite T9 Unclear - Unclear GT [2]
⏷ Show the Full List of 10 MR(s)
References
1 ClinicalTrials.gov (NCT00801086) Efficacy Study of Tempol to Prevent Hair Loss From Radiotherapy to the Brain. U.S. National Institutes of Health.
2 Stable isotope- and mass spectrometry-based metabolomics as tools in drug metabolism: a study expanding tempol pharmacology

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