compound 13 [PMID: 23098072]

Ligand id: 8888

Name: compound 13 [PMID: 23098072]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 41
Hydrogen bond donors 10
Rotatable bonds 107
Topological polar surface area 647.95
Molecular weight 2260.14
XLogP 10.98
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human catalytic receptors
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Target Type Action Affinity Units Concentration range (M) Reference
TLR2 Agonist Agonist 7.6 pKi - 1
pKi 7.6 (Ki 2.5x10-8 M) [1]