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

General Information of Drug (ID: DR0089)
Drug Name
Aminophenazone
Synonyms
AMINOPYRINE; Amidazofen; Amidazophen; Amidazophene; Amidofebrin; Amidofen; Amidophen; Amidophenazone; Amidopyrazoline; Amidopyrin; Amidopyrine; Aminofenazone; Aminophenazon; Aminopyrin; Anafebrina; Brufaneuxol; Dereuma; Dimapyrin; Dimethylaminoantipyrine; Dimethylaminoazophene; Dimethylaminophenazone; Dipirin; Dipyrin; Dipyrine; Eufibron; Febrinina; Febron; Hyparon; Itamidone; Mamallet-A; Novamidon; Piramidon; Pirazon; Piridol; Piromidina; Polinalin; Pyradone; Pyramidon; Pyramidone; aminophenazone; 4-Dimethylaminoantipyrine; 58-15-1
Indication Anaesthesia [ICD11: 8E22] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 231.29 Topological Polar Surface Area 26.8
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
6009
ChEBI ID
CHEBI:160246
CAS Number
58-15-1
Formula
C13H17N3O
Canonical SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C
InChI
1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey
RMMXTBMQSGEXHJ-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-(Dimethylamino)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one DM001563
154700001
Oxidation - N-Dealkylation 1 [6]
Aminophenazone metabolite I DM001560
45121421
Unclear 1 [7]
N-Desmethylaminopyrine DM001564
10618
Oxidation - N-Dealkylation 1 [4]
Aminophenazone Metobolite II DM001561 N. A. Unclear 2 [7]
Aminophenazone Metobolite III DM001562 N. A. Unclear 3 [7]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000168 Aminophenazone Aminophenazone metabolite I Unclear Unclear [7]
MR000169 Aminophenazone 4-(Dimethylamino)-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one Oxidation - N-Dealkylation CYP2C19 ... [6]
MR000170 Aminophenazone N-Desmethylaminopyrine Oxidation - N-Dealkylation CYP1A2 ... [4]
MR000166 Aminophenazone metabolite I Aminophenazone Metobolite II Unclear Unclear [7]
MR000167 Aminophenazone Metobolite II Aminophenazone Metobolite III Unclear Unclear [7]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2C18 (CYP2C18) DME0017 Homo sapiens
CP2CI_HUMAN
1.14.14.1
[3]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[4]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[5]
Steroid 17-alpha-monooxygenase (CYP17A1) DME0024 Homo sapiens
CP17A_HUMAN
1.14.99.9
[3]
⏷ Show the Full List of 9  DME(s)
References
1 National Center for Advancing Translational Science-Inxight: drug (01704YP3MO)
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
3 Contribution of human hepatic cytochrome P450s and steroidogenic CYP17 to the N-demethylation of aminopyrine. Xenobiotica. 1999 Feb;29(2):187-93.
4 Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
5 Inhibition of human hepatic cytochrome P450s and steroidogenic CYP17 by nonylphenol. Biol Pharm Bull. 2002 Feb;25(2):235-8.
6 Cytochromes P450: a structure-based summary of biotransformations using representative substrates Drug Metab Rev. 2008;40(1):1-100. doi: 10.1080/03602530802309742.
7 U. S. FDA Label - Aminophenazone

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