FIPI   Click here for help

GtoPdb Ligand ID: 8781

Synonyms: compound 14 [PMID: 19136975]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: FIPI is a phospholipase D1/D2 inhibitor [1]. Suppresses membrane ruffling.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 85.92
Molecular weight 421.19
XLogP 2.54
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
Isomeric SMILES Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
InChI InChI=1S/C23H24FN5O2/c24-16-5-6-18-15(13-16)14-20(26-18)22(30)25-9-12-28-10-7-17(8-11-28)29-21-4-2-1-3-19(21)27-23(29)31/h1-6,13-14,17,26H,7-12H2,(H,25,30)(H,27,31)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
PLD1 Hs Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 9.5x10-9 M) [1]
PLD2 Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.7x10-8 M) [1]