CRT 0066101

Ligand id: 8048

Name: CRT 0066101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 101.88
Molecular weight 338.19
XLogP 1.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Harikumar KB, Kunnumakkara AB, Ochi N, Tong Z, Deorukhkar A, Sung B, Kelland L, Jamieson S, Sutherland R, Raynham T et al.. (2010)
A novel small-molecule inhibitor of protein kinase D blocks pancreatic cancer growth in vitro and in vivo.
Mol. Cancer Ther.9 (5): 1136-46. [PMID:20442301]