DAPK inhibitor 13

Ligand id: 9422

Name: DAPK inhibitor 13

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 51.55
Molecular weight 342
XLogP 4.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Geering B, Stoeckle C, Rozman S, Oberson K, Benarafa C, Simon HU. (2014)
DAPK2 positively regulates motility of neutrophils and eosinophils in response to intermediary chemoattractants.
J. Leukoc. Biol.95 (2): 293-303. [PMID:24163421]
2. Okamoto M, Takayama K, Shimizu T, Muroya A, Furuya T. (2010)
Structure-activity relationship of novel DAPK inhibitors identified by structure-based virtual screening.
Bioorg. Med. Chem.18 (7): 2728-34. [PMID:20206532]