PF-04852946   Click here for help

GtoPdb Ligand ID: 8538

Synonyms: PF 04852946 | PF04852946
Compound class: Synthetic organic
Comment: PF-04852946 is an EP2 receptor-selective 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 99.86
Molecular weight 456.17
XLogP 4.21
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O
Isomeric SMILES COc1ccc(cc1)C(=O)N1CCC(C1)(COc1ccc(cc1)c1ccc(cc1)C#N)C(=O)O
InChI InChI=1S/C27H24N2O5/c1-33-23-10-8-22(9-11-23)25(30)29-15-14-27(17-29,26(31)32)18-34-24-12-6-21(7-13-24)20-4-2-19(16-28)3-5-20/h2-13H,14-15,17-18H2,1H3,(H,31,32)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
EP2 receptor Hs Antagonist Antagonist 8.4 – 8.5 pKB - 1
pKB 8.4 – 8.5 (KB 3.55x10-9 – 2.95x10-9 M) [1]