compound 1 [PMID: 16650987]

Ligand id: 6552

Name: compound 1 [PMID: 16650987]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 9
Topological polar surface area 240.95
Molecular weight 532.17
XLogP -0.1
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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
coagulation factor VII Hs Inhibitor Inhibition 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]