Ligand id: 10091

Name: CRX-555

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 21
Hydrogen bond donors 6
Rotatable bonds 73
Topological polar surface area 315.96
Molecular weight 1402.97
XLogP 22.5
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

Bioactivity Comments
CRX-555 and other aminoalkyl glucosaminide phosphate compounds from the series with ≤9-carbon secondary acyl chains do not elicit TNFα production from human monocyte-derived macrophages, but it does induce transcriptional activation of eight genes on a custom microarray of ~300 inflammatory target genes [9]. In contrast, CRX-527 which has 10-carbon secondary acyl chains potently activates TNFα production and transcriptional responses (68 genes) in the same assays.
Selectivity at catalytic receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TLR4 Hs Agonist Partial agonist - - - 9