compound 26 [PMID: 24673130]

Ligand id: 8134

Name: compound 26 [PMID: 24673130]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 64.69
Molecular weight 240.08
XLogP 2.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Crawford TD, Ndubaku CO, Chen H, Boggs JW, Bravo BJ, Delatorre K, Giannetti AM, Gould SE, Harris SF, Magnuson SR et al.. (2014)
Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization.
J. Med. Chem., 57 (8): 3484-93. [PMID:24673130]