danusertib

Ligand id: 7937

Name: danusertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 93.8
Molecular weight 474.24
XLogP 3.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Fancelli D, Moll J, Varasi M, Bravo R, Artico R, Berta D, Bindi S, Cameron A, Candiani I, Cappella P et al.. (2006)
1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: identification of a potent Aurora kinase inhibitor with a favorable antitumor kinase inhibition profile.
J. Med. Chem.49 (24): 7247-51. [PMID:17125279]
2. Willemsen-Seegers N, Uitdehaag JC, Prinsen MB, de Vetter JR, de Man J, Sawa M, Kawase Y, Buijsman RC, Zaman GJ. (2016)
Compound Selectivity and Target Residence Time of Kinase Inhibitors Studied with Surface Plasmon Resonance.
J. Mol. Biol.,  [Epub ahead of print]. [PMID:28043854]