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

General Information of Drug (ID: DR2043)
Drug Name
LS-103895
Synonyms
Tyramine; Benzeneethanamine, 4-hydroxy-; Phenethylamine, p-hydroxy-; Phenol, 4-(2-aminoethyl)-; Phenol, p-(2-aminoethyl)-; Systogene; Tenosin-wirkstoff; Tocosine; Tyramin; Tyramine base; Tyrosamine; Uteramine; beta-Hydroxyphenylethylamine; p-(2-Aminoethyl)phenol; p-Hydroxyphenethylamine; p-Hydroxyphenylethylamine; p-Tyramine; p-beta-Aminoethylphenol; para-Tyramine; tyramine; 2-(4-Hydroxyphenyl)ethylamine; 2-(p-Hydroxyphenyl)ethylamine; 4-(2-Aminoethyl)phenol; 4-Hydroxyphenethylamine; 4-Hydroxyphenylethylamine; 51-67-2; NSC 249188
Indication Parkinsonism [ICD11: 8A00] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 137.18 Topological Polar Surface Area 46.2
Heavy Atom Count 10 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5610
PubChem SID
3766 ; 136967 ; 608127 ; 839997 ; 858070 ; 3134838 ; 5502075 ; 8143353 ; 8150088 ; 8153454 ; 10524949 ; 11111872 ; 11336093 ; 11361332 ; 11364107 ; 11366669 ; 11369231 ; 11371765 ; 11375541 ; 11377393 ; 11462304 ; 11484432 ; 11488554 ; 11490509 ; 11493615 ; 11495027 ; 15321440 ; 24715053 ; 24889929 ; 24900582 ; 25622217 ; 26512235 ; 26613119 ; 26679249 ; 26747190 ; 26747191 ; 26752293 ; 26752294 ; 29204652 ; 29224648 ; 41530225 ; 47291202 ; 47365262 ; 47515377 ; 47810820 ; 47959828 ; 47959829 ; 48035206 ; 49649954 ; 49748652
ChEBI ID
CHEBI:15760
CAS Number
51-67-2
TTD Drug ID
D0C5RZ
Formula
C8H11NO
Canonical SMILES
C1=CC(=CC=C1CCN)O
InChI
1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChIKey
DZGWFCGJZKJUFP-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-hydroxyphenylacetic acid (4-HPAA) DM003301 N. A. Oxidation - Deamination 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003736 LS-103895 4-hydroxyphenylacetic acid (4-HPAA) Oxidation - Deamination MAOA [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Copper amine oxidase (AOC3) DME0405 Homo sapiens
AOC3_HUMAN
1.4.3.21
[2]
Monoamine oxidase type A (MAO-A) DME0044 Homo sapiens
AOFA_HUMAN
1.4.3.4
[3]
Semicarbazide-sensitive amine oxidase (AOC2) DME0477 Homo sapiens
AOC2_HUMAN
1.4.3.21
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Semicarbazide-sensitive amine oxidase (AOC2) DME0477 Km = 0.056 microM
AOC2_HUMAN
[2]
Copper amine oxidase (AOC3) DME0405 Km = 0.056 microM
AOC3_HUMAN
[2]
References
1 ClinicalTrials.gov (NCT00203125) A Study to Evaluate the Effects of Tyramine in Patients Who Completed the PRESTO Study..
2 The unique substrate specificity of human AOC2, a semicarbazide-sensitive amine oxidase. Cell Mol Life Sci. 2009 Aug;66(16):2743-57.
3 Highly Variable Pharmacokinetics of Tyramine in Humans and Polymorphisms in OCT1, CYP2D6, and MAO-A

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