PCA 4248   Click here for help

GtoPdb Ligand ID: 6080

Synonyms: PCA-4248 | PTEMC
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: PCA 4248 is a PAF receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 89.93
Molecular weight 361.13
XLogP 4.66
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C
Isomeric SMILES COC(=O)C1=C(C)NC(=C(C1C)C(=O)OCCSc1ccccc1)C
InChI InChI=1S/C19H23NO4S/c1-12-16(18(21)23-4)13(2)20-14(3)17(12)19(22)24-10-11-25-15-8-6-5-7-9-15/h5-9,12,20H,10-11H2,1-4H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
PAF receptor Hs Antagonist Antagonist 7.4 pA2 - 1
pA2 7.4 Displacement of [3H]PAF binding to polymorphonuclear cells. [1]
PAF receptor Hs Antagonist Antagonist 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.6x10-6 M) Inhibition of PAF-induced platelet aggregation. [1]