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 GtoPdb and ChEMBL (where available) across species

Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
TLR2 Hs Agonist Agonist 7.6 pKi - 1
pKi 7.6 (Ki 2.5x10-8 M) [1]