fingolimod

Ligand id: 2407

Name: fingolimod

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: fingolimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 66.48
Molecular weight 307.25
XLogP 6.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
Note that most of the bioactivity maps to the active metabolite FTY720-phosphate.
FTY720 exhibits no measurable agonist activity at human S1P2, S1P3 and S1P4 receptor subtypes, compared to S1P1 and S1P5 [4].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
S1P1 receptor Hs Agonist Agonist 6.1 pIC50 - 4
pIC50 6.1 (IC50 8.4x10-7 M) [4]
S1P5 receptor Hs Agonist Agonist 5.7 pIC50 - 4
pIC50 5.7 (IC50 2.1x10-6 M) [4]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kir3.4 Mm Activator Agonist - - 1x10-8 - 1x10-7 6
Conc range: 1x10-8 - 1x10-7 M [6]
Voltage: -90.0 mV
TRPM7 Mm Channel blocker Inhibition 6.1 pIC50 - 8
pIC50 6.1 (IC50 7.2x10-7 M) [8]
Voltage: -100.0 – 100.0 mV
Ligand mentioned in the following text fields