Ligand id: 9053

Name: CB-839

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 160.12
Molecular weight 571.16
XLogP 6.27
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

No information available.
Summary of Clinical Use
CB-839 is being evaluated in a Phase I clinical trial (NCT02071862) for activity against solid tumours. Tumours types being investigated are triple-negative breast cancer, non-small cell lung cancer (adenocarcinoma), renal cell cancer, mesothelioma, fumarate hydratase (FH)-deficient tumors, succinate dehydrogenase (SDH)-deficient gastrointestinal stromal tumors (GIST), SDH-deficient non-GIST tumors, tumors harboring mutations in isocitrate dehydrogenase-1 (IDH1) or IDH2, and cMyc mutation tumors. Two further Phase I clinical trials are assessing CB-839 in hematological tumors (Non-Hodgkin's Lymphoma (NHL), multiple myeloma, Waldenstrom's macroglobulinemia (WM), diffuse large B-cell lymphoma (DLBCL) and other B-cell NHL subtypes)- NCT02071888 and NCT02071927.
Mechanism Of Action and Pharmacodynamic Effects
Many tumor cells are dependent on glutamine as an energy source for growth and survival. CB-839 inhibits glutaminase, the first enzyme in glutamine utilization (glutaminolysis), thereby starving tumor cells of their energy source.