dactolisib

Ligand id: 7950

Name: dactolisib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 73.12
Molecular weight 469.19
XLogP 5.89
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Ma BB, Lui VW, Hui CW, Lau CP, Wong CH, Hui EP, Ng MH, Cheng SH, Tsao SW, Tsang CM et al.. (2014)
Preclinical evaluation of the mTOR-PI3K inhibitor BEZ235 in nasopharyngeal cancer models.
Cancer Lett.343 (1): 24-32. [PMID:24041865]
2. Maira SM, Stauffer F, Brueggen J, Furet P, Schnell C, Fritsch C, Brachmann S, Chène P, De Pover A, Schoemaker K et al.. (2008)
Identification and characterization of NVP-BEZ235, a new orally available dual phosphatidylinositol 3-kinase/mammalian target of rapamycin inhibitor with potent in vivo antitumor activity.
Mol. Cancer Ther.7 (7): 1851-63. [PMID:18606717]
3. Toledo LI, Murga M, Zur R, Soria R, Rodriguez A, Martinez S, Oyarzabal J, Pastor J, Bischoff JR, Fernandez-Capetillo O. (2011)
A cell-based screen identifies ATR inhibitors with synthetic lethal properties for cancer-associated mutations.
Nat. Struct. Mol. Biol.18 (6): 721-7. [PMID:21552262]
4. Willemsen-Seegers N, Uitdehaag JC, Prinsen MB, de Vetter JR, de Man J, Sawa M, Kawase Y, Buijsman RC, Zaman GJ. (2016)
Compound Selectivity and Target Residence Time of Kinase Inhibitors Studied with Surface Plasmon Resonance.
J. Mol. Biol.,  [Epub ahead of print]. [PMID:28043854]