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

General Information of Drug (ID: DR3412)
Drug Name
TRYPTAMINE
Synonyms
tryptamine; 61-54-1; 2-(1H-Indol-3-yl)ethanamine; 3-(2-aminoethyl)indole; 1H-Indole-3-ethanamine; 2-(3-Indolyl)ethylamine; Indol-3-ethylamine; Indole, 3-(2-aminoethyl)-; 2-(Indol-3-yl)ethylamine; 2-(1H-Indol-3-Yl)Ethan-1-Amine; 3-Indoleethylamine; Tryptamin; 2-(1H-indol-3-yl)ethylamine; 2-Indol-3-ylethylamine; 2-(1H-INDOL-3-YL)-ETHYLAMINE; UNII-422ZU9N5TV; (Amino-2 ethyl)-3 indole; (Amino-2 ethyl)-3 indole [French]; Tryptamine, 98%; BRN 0125513; EINECS 200-510-5; CHEMBL6640; 422ZU9N5TV; CHEBI:16765; APJYDQYYACXCRM-UHFFFAOYSA-N
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 160.22 Topological Polar Surface Area 41.8
Heavy Atom Count 12 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
1150
ChEBI ID
CHEBI:16765
CAS Number
61-54-1
TTD Drug ID
D08CJK
Formula
C10H12N2
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CCN
InChI
InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChIKey
APJYDQYYACXCRM-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
Formylkynuramine DM016310
71374243
Unclear - Unclear 1 [1]
Indoleacetaldehyde DM014826
800
Unclear - Unclear 1 [3] , [1]
N,N-Dimethyltryptamine DM002637
6089
Oxidation - Methylation 1 [3]
N-acetyltryptaaraine DM017687 N. A. Unclear - Unclear 1 [3]
N-methyltryptarnine DM017686 N. A. Oxidation - Methylation 1 [3]
Tryptophol DM014941
10685
Unclear - Unclear 1 [2]
Indole acetic acid DM000389
802
Unclear - Unclear 2 [3] , [1]
Kynuramine DM014928
9692
Unclear - Unclear 2 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009180 TRYPTAMINE Indoleacetaldehyde Unclear - Unclear MAOA [3], [1]
MR009182 TRYPTAMINE Formylkynuramine Unclear - Unclear IDO1 [1]
MR009184 TRYPTAMINE N-methyltryptarnine Oxidation - Methylation Unclear [3]
MR009185 TRYPTAMINE N,N-dimethyltryptamine Oxidation - Methylation Unclear [3]
MR009186 TRYPTAMINE N-acetyltryptaaraine Unclear - Unclear Unclear [3]
MR009187 TRYPTAMINE Tryptophol Unclear - Unclear CYP2D6 ... [2]
MR009183 Formylkynuramine Kynuramine Unclear - Unclear fmdA [1]
MR009181 Indoleacetaldehyde Indole acetic acid Unclear - Unclear ALDH2 [3], [1]
⏷ Show the Full List of 8 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde dehydrogenase (ALDH) DMEN076 . Not Available Not Available [1]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Formamidase (fmdA) DMEN785 Homo sapiens Not Available Not Available [1]
Monoamine oxidase type A (MAO-A) DME0044 Homo sapiens
AOFA_HUMAN
1.4.3.4
[2]
References
1 Tryptamine: a metabolite of tryptophan implicated in various neuropsychiatric disorders
2 The relative contribution of monoamine oxidase and cytochrome p450 isozymes to the metabolic deamination of the trace amine tryptamine
3 Distribution and metabolism of tryptamine in rat brain

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