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

1. Priebe W, Krawczyk M, Kuo MT, Yamane Y, Savaraj N, Ishikawa T. (1998)
Doxorubicin- and daunorubicin-glutathione conjugates, but not unconjugated drugs, competitively inhibit leukotriene C4 transport mediated by MRP/GS-X pump.
Biochem. Biophys. Res. Commun., 247 (3): 859-63. [PMID:9647783]