compound 2-3-2 [PMID: 24900824]

Ligand id: 8110

Name: compound 2-3-2 [PMID: 24900824]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 116.44
Molecular weight 564.23
XLogP 2.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Brazeau JF, Rosse G. (2014)
Novel cycloalkenepyrazoles as inhibitors of bub1 kinase.
ACS Med Chem Lett, 5 (4): 280-1. [PMID:24900824]
2. Hitchcock M, Hilger C-S, Mengel A, Briem H, Holton S, P¨:tter V, Siemeister G, Prechtl S, FERNÁNDEZ-MONTALVÁN AE, Stegmann C. (2013)
Substituted cycloalkenopyrazoles as bub1 inhibitors for the treatment of cancer.
Patent number: WO2013167698. Assignee: Bayer Pharma Aktiengesellschaft. Priority date: 11/05/2012. Publication date: 14/11/2013.