β-phenylethylamine

Ligand id: 2144

Name: β-phenylethylamine

Abbreviated name: PEA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 26.02
Molecular weight 121.09
XLogP 3.12
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Natural/Endogenous Targets
Target
TA1 receptor
Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Vesicular monoamine transporter 2 4
Vesicular monoamine transporter 1 4
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TA1 receptor Mm Agonist Full agonist 6.3 – 7.4 pEC50 - 5,9,12
pEC50 6.3 – 7.4 [5,9,12]
TA1 receptor Hs Agonist Full agonist 6.2 – 7.0 pEC50 - 1-2,5-7,11
pEC50 6.2 – 7.0 [1-2,5-7,11]
TA1 receptor Rn Agonist Full agonist 6.4 – 6.6 pEC50 - 3,9
pEC50 6.4 – 6.6 [3,9]
TAAR4P Mm Agonist Agonist 6.0 pEC50 - 8
pEC50 6.0 (EC50 1x10-6 M) [8]
TAAR4P Rn Agonist Partial agonist - - - 10
[10]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Ligand mentioned in the following text fields