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 ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
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Target Type Action Affinity Units Concentration range (M) Reference
coagulation factor VII Inhibitor Inhibition 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]