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

General Information of Drug (ID: DR0013)
Drug Name
Methoxyamphetamine beta
Synonyms
Beta-methoxyamphetamine; p-Methoxyamphetamine; para-methoxyamphetamine; paramethoxyamphetamine; (+-)-p-Methoxyamphetamine; 1-(4-Methoxybenzyl)ethylamine; 1-(4-methoxyphenyl)propan-2-amine; 1-p-Methoxyphenyl-2-aminopropane; 1-p-Methoxyphenyl-2-propylamine; 2-(4-Methoxy-phenyl)-1-methyl-ethylamine; 2-Amino-1-(4'-methoxyphenyl)propane; 23239-32-9; 4-Methoxyamphetamine; 50505-80-1; 64-13-1; CHEMBL278663; DEA No. 7411; DL-p-Methoxy-alpha-methylphenethylamine; NSC 32757; p-Methoxy-alpha-methylphenethylamine
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 165.23 Topological Polar Surface Area 35.2
Heavy Atom Count 12 Rotatable Bond Count 3
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
31721
CAS Number
64-13-1
TTD Drug ID
D0R7ZC
Formula
C10H15NO
Canonical SMILES
CC(CC1=CC=C(C=C1)OC)N
InChI
1S/C10H15NO/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
InChIKey
NEGYEDYHPHMHGK-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
1-(4'-methoxyphenyl)propan-2-one DM005467
31231
Oxidation - Deamination 1 [3]
1-(4'-methoxyphenyl)propan-2-one oxime DM005469
5371156
Oxidation - N-Oxidationn 1 [3]
4-methoxybenzoic acid DM005468
7478
Unclear 1 [3]
Fenethylline Metabolite M-5( p-hydroxy-AP) DM000822
3651
Oxidation - #NAME? 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005819 Methoxyamphetamine beta 4-hydroxyamphetamine Oxidation - #NAME? CYP2D6 [2], [3]
MR005820 Methoxyamphetamine beta 1-(4'-methoxyphenyl)propan-2-one Oxidation - Deamination Unclear [3]
MR005821 Methoxyamphetamine beta 4-methoxybenzoic acid Unclear Unclear [3]
MR005822 Methoxyamphetamine beta 1-(4'-methoxyphenyl)propan-2-one oxime Oxidation - N-Oxidationn Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
References
1 Naphthylisopropylamine and N-benzylamphetamine derivatives as monoamine oxidase inhibitors. Bioorg Med Chem. 2009 Mar 15;17(6):2452-60.
2 Interactions of amphetamine analogs with human liver CYP2D6. Biochem Pharmacol. 1997 Jun 1;53(11):1605-12.
3 Interindividual and interspecies variation in the metabolism of the hallucinogen 4-methoxyamphetamine

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