fluoxetine

Ligand id: 203

Name: fluoxetine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 21.26
Molecular weight 309.13
XLogP 6.38
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
5-HT2C receptor Rn Antagonist Antagonist 7.3 pKi - 9
pKi 7.3 [9]
5-HT2A receptor Rn Antagonist Antagonist 6.5 pKi - 9
pKi 6.5 [9]
5-HT6 receptor Rn Antagonist Antagonist 5.8 pKi - 6
pKi 5.8 [6]
5-HT2B receptor Hs Antagonist Antagonist 5.3 pKi - 9
pKi 5.3 [9]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kv3.1 Rn Gating inhibitor - 6.1 pIC50 - 2
pIC50 6.1 [2]
Kir3.2 Mm Gating inhibitor Antagonist 4.1 – 4.8 pIC50 - 5
pIC50 4.1 – 4.8 [5]
Voltage: -70.0 mV
CaCC Hs Channel blocker - - - -
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 8.5 pKi - 10
pKi 8.5 (Ki 3x10-9 M) [10]
Plasma membrane monoamine transporter Hs Inhibitor Inhibition 4.6 pKi - 3,11
pKi 4.6 (Ki 2.27x10-5 M) [3,11]