[3H]apafant   Click here for help

GtoPdb Ligand ID: 1859

Synonyms: [3H]WEB 2086
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 100.33
Molecular weight 455.12
XLogP 3.76
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
Isomeric SMILES O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
InChI InChI=1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
PAF receptor Hs Antagonist Antagonist 7.4 – 8.0 pKd - 1-3
pKd 7.4 – 8.0 [1-3]
Ligand mentioned in the following text fields