Details of the Drug

General Information of Drug (ID: DM4UXT1)

Drug Name
tyramine
Synonyms
Tyramine; 4-(2-Aminoethyl)phenol; 51-67-2; 4-Hydroxyphenethylamine; p-Tyramine; 2-(4-Hydroxyphenyl)ethylamine; Uteramine; Tyramin; Tyrosamine; Tocosine; 4-Hydroxyphenylethylamine; Systogene; Phenol, 4-(2-aminoethyl)-; p-Hydroxyphenethylamine; Tenosin-wirkstoff; p-Hydroxyphenylethylamine; p-(2-Aminoethyl)phenol; 2-(p-Hydroxyphenyl)ethylamine; Phenethylamine, p-hydroxy-; p-beta-Aminoethylphenol; Phenol, p-(2-aminoethyl)-; Benzeneethanamine, 4-hydroxy-; Tyramine base; beta-Hydroxyphenylethylamine; NSC 249188; p-tyramine; [3H]tyramine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 137.18
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C8H11NO
IUPAC Name
4-(2-aminoethyl)phenol
Canonical SMILES
C1=CC(=CC=C1CCN)O
InChI
InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
InChIKey
DZGWFCGJZKJUFP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5610
ChEBI ID
CHEBI:15760
CAS Number
51-67-2
UNII
X8ZC7V0OX3
DrugBank ID
DB08841
TTD ID
D0C5RZ
VARIDT ID
DR01389
INTEDE ID
DR2043

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Trace amine-associated receptor-1 (TAAR1) TTIU98M TAAR1_HUMAN Agonist [2]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation transporter 1 (SLC22A1) DTT79CX S22A1_HUMAN Substrate [3]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Copper amine oxidase (AOC3) DE6SOC5 AOC3_HUMAN Substrate [4]
Semicarbazide-sensitive amine oxidase (AOC2) DE8DP90 AOC2_HUMAN Substrate [4]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Amine oxidase A (MAOA) OT8NIWMQ AOFA_HUMAN Regulation of Drug Effects [5]
Cytochrome P450 2D6 (CYP2D6) OTZJC802 CP2D6_HUMAN Regulation of Drug Effects [6]
Sulfotransferase 1A3 (SULT1A4) OTHJ8WWV ST1A3_HUMAN Biotransformations [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Trace amine-associated receptor-1 (TAAR1) DTT TAAR1 6.12E-01 -0.01 -0.06
Organic cation transporter 1 (SLC22A1) DTP SLC22A1 5.15E-01 1.61E-02 7.93E-02
Semicarbazide-sensitive amine oxidase (AOC2) DME AOC2 2.67E-01 8.39E-02 3.04E-01
Copper amine oxidase (AOC3) DME AOC3 7.70E-01 -1.74E-02 -5.23E-02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2148).
2 Differential modulation of Beta-adrenergic receptor signaling by trace amine-associated receptor 1 agonists. PLoS One. 2011;6(10):e27073.
3 Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res. 2013 Apr;30(4):996-1007.
4 The unique substrate specificity of human AOC2, a semicarbazide-sensitive amine oxidase. Cell Mol Life Sci. 2009 Aug;66(16):2743-57.
5 Association between monoamine oxidase A activity in human male skin fibroblasts and genotype of the MAOA promoter-associated variable number tandem repeat. Hum Genet. 1999 Dec;105(6):542-51. doi: 10.1007/s004399900183.
6 Effect of penicillin-based antibiotics, amoxicillin, ampicillin, and piperacillin, on drug-metabolizing activities of human hepatic cytochromes P450. J Toxicol Sci. 2016 Feb;41(1):143-6.
7 Enzymatic characterization and interspecies difference of phenol sulfotransferases, ST1A forms. Drug Metab Dispos. 2001 Mar;29(3):274-81.