compound 1 [PMID: 21742770]

Ligand id: 8190

Name: compound 1 [PMID: 21742770]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 67.68
Molecular weight 444.23
XLogP 3.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Babij C, Zhang Y, Kurzeja RJ, Munzli A, Shehabeldin A, Fernando M, Quon K, Kassner PD, Ruefli-Brasse AA, Watson VJ et al.. (2011)
STK33 kinase activity is nonessential in KRAS-dependent cancer cells.
Cancer Res., 71 (17): 5818-26. [PMID:21742770]
2. We├»wer M, Spoonamore J, Wei J, Guichard B, Ross NT, Masson K, Silkworth W, Dandapani S, Palmer M, Scherer CA et al.. (2012)
A Potent and Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality in KRAS-Dependent Cells.
ACS Med Chem Lett, 3 (12): 1034-1038. [PMID:23256033]