compound 2 [PMID: 22560567]

Ligand id: 8115

Name: compound 2 [PMID: 22560567]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 61.36
Molecular weight 279.11
XLogP 4.36
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Coffman K, Brodney M, Cook J, Lanyon L, Pandit J, Sakya S, Schachter J, Tseng-Lovering E, Wessel M. (2011)
6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3β inhibitors.
Bioorg. Med. Chem. Lett., 21 (5): 1429-33. [PMID:21295469]
2. Koltun ES, Tsuhako AL, Brown DS, Aay N, Arcalas A, Chan V, Du H, Engst S, Ferguson K, Franzini M et al.. (2012)
Discovery of XL413, a potent and selective CDC7 inhibitor.
Bioorg. Med. Chem. Lett., 22 (11): 3727-31. [PMID:22560567]
3. Menichincheri M, Bargiotti A, Berthelsen J, Bertrand JA, Bossi R, Ciavolella A, Cirla A, Cristiani C, Croci V, D'Alessio R et al.. (2009)
First Cdc7 kinase inhibitors: pyrrolopyridinones as potent and orally active antitumor agents. 2. Lead discovery.
J. Med. Chem., 52 (2): 293-307. [PMID:19115845]