motolimod   Click here for help

GtoPdb Ligand ID: 9026

Synonyms: VTX-2337
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Motolimod is an investigational Toll-like receptor 8 (TLR8) agonist [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 79
Molecular weight 458.27
XLogP 4
No. Lipinski's rules broken 0
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Canonical SMILES CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC
Isomeric SMILES CCCN(C(=O)C1=Cc2ccc(cc2N=C(C1)N)c1ccc(cc1)C(=O)N1CCCC1)CCC
InChI InChI=1S/C28H34N4O2/c1-3-13-31(14-4-2)28(34)24-17-23-12-11-22(18-25(23)30-26(29)19-24)20-7-9-21(10-8-20)27(33)32-15-5-6-16-32/h7-12,17-18H,3-6,13-16,19H2,1-2H3,(H2,29,30)
Bioactivity Comments
Motolimod activates monocytes, dendritic cells (DCs) and natural killer (NK) cells. Activation of NK cells underlies the observation that motolimod augments antibody-dependent cell-mediated cytotoxicity (ADCC) in vitro [3].
Selectivity at catalytic receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TLR8 Hs Agonist Agonist ~7.0 pEC50 - 3
pEC50 ~7.0 (EC50 ~1x10-7 M) [3]