Ligand id: 8968

Name: PIK-108

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 54.71
Molecular weight 364.18
XLogP 5.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Certal V, Halley F, Virone-Oddos A, Delorme C, Karlsson A, Rak A, Thompson F, Filoche-Rommé B, El-Ahmad Y, Carry JC et al.. (2012)
Discovery and optimization of new benzimidazole- and benzoxazole-pyrimidone selective PI3Kβ inhibitors for the treatment of phosphatase and TENsin homologue (PTEN)-deficient cancers.
J. Med. Chem., 55 (10): 4788-805. [PMID:22524426]
2. Hon WC, Berndt A, Williams RL. (2012)
Regulation of lipid binding underlies the activation mechanism of class IA PI3-kinases.
Oncogene, 31 (32): 3655-66. [PMID:22120714]