Ligand id: 8762

Name: WP814

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 9
Rotatable bonds 16
Topological polar surface area 325.48
Molecular weight 703.17
XLogP -4.23
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
ABCC1 Hs Inhibitor Inhibition 7.2 pKi - 1
pKi 7.2 (Ki 7x10-8 M) [1]