dexamfetamine

Ligand id: 2147

Name: dexamfetamine

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 135.1
XLogP 3.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

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 human GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
TA1 receptor Agonist Full agonist 6.0 – 6.9 pEC50 - 2,5
pEC50 6.0 – 6.9 [2,5]
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
NET Inhibitor Inhibition 7.0 pKi - 1
pKi 7.0 (Ki 1.01x10-7 M) [1]
DAT Inhibitor Inhibition 7.0 pKi - 1
pKi 7.0 (Ki 1.09x10-7 M) [1]
Selectivity at mouse GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
TA1 receptor Agonist Full agonist 6.7 – 8.7 pEC50 - 6-7
pEC50 6.7 – 8.7 [6-7]
Selectivity at rat GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
TA1 receptor Agonist Full agonist 6.1 – 6.4 pEC50 - 3,6
pEC50 6.1 – 6.4 [3,6]