Ligand id: 9354

Name: DDR-IN-1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 73.91
Molecular weight 552.23
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Kim HG, Tan L, Weisberg EL, Liu F, Canning P, Choi HG, Ezell SA, Wu H, Zhao Z, Wang J et al.. (2013)
Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor.
ACS Chem. Biol., 8 (10): 2145-50. [PMID:23899692]