compound 11 [PMID: 16413183]

Ligand id: 8493

Name: compound 11 [PMID: 16413183]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 7
Topological polar surface area 208.69
Molecular weight 487.15
XLogP 1.48
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 11 shows selectivity for KLKB1 in comparison to related serine proteases (coagulation factors Xa and VIIa, and trypsin) [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
kallikrein B1 Hs Inhibitor Inhibition 9.3 pKi - 1
pKi 9.3 (Ki 5x10-10 M) [1]
coagulation factor VII Hs Inhibitor Inhibition ~7.0 pKi - 1
pKi ~7.0 (Ki ~1x10-7 M) [1]
Description: Ki calculated from fold selectivity for KLKB1.