cobimetinib

Ligand id: 7626

Name: cobimetinib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 64.6
Molecular weight 531.06
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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Mutations of the BRAF gene in human cancer.
Nature417 (6892): 949-54. [PMID:12068308]
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Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973).
ACS Med. Che. Letters3 (5): 416–421.
4. Wan PT, Garnett MJ, Roe SM, Lee S, Niculescu-Duvaz D, Good VM, Jones CM, Marshall CJ, Springer CJ, Barford D et al.. (2004)
Mechanism of activation of the RAF-ERK signaling pathway by oncogenic mutations of B-RAF.
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