compound 20 [PMID: 22153340]

Ligand id: 6568

Name: compound 20 [PMID: 22153340]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 118.13
Molecular weight 427.11
XLogP 3.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
MMP12 Hs Inhibitor Inhibition 10.0 pIC50 - 1
pIC50 10.0 (IC50 1x10-10 M) [1]