TG8-260   Click here for help

GtoPdb Ligand ID: 12520

Synonyms: compound 2f [PMID: 35187419] | TG8260
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: TG8-260 is a prostaglandin-E2 receptor antagonist [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 65.52
Molecular weight 344.41
XLogP 1.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1=C(CCNC(=O)C2=CC=C(C=C2)C3=CNC=N3)C4=C(C=CC=C4)N1
Isomeric SMILES CC1=C(CCNC(=O)C2=CC=C(C=C2)C3=CNC=N3)C4=C(N1)C=CC=C4
InChI InChI=1S/C21H20N4O/c1-14-17(18-4-2-3-5-19(18)25-14)10-11-23-21(26)16-8-6-15(7-9-16)20-12-22-13-24-20/h2-9,12-13,25H,10-11H2,1H3,(H,22,24)(H,23,26)
InChI Key XMWMPTMQNJXLNV-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
EP2 receptor Hs Antagonist Antagonist 7.9 pKB - 1-2
pKB 7.9 [1-2]