Ligand id: 6624

Name: ABC294640

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 41.99
Molecular weight 380.17
XLogP 6.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. French KJ, Zhuang Y, Maines LW, Gao P, Wang W, Beljanski V, Upson JJ, Green CL, Keller SN, Smith CD. (2010)
Pharmacology and antitumor activity of ABC294640, a selective inhibitor of sphingosine kinase-2.
J. Pharmacol. Exp. Ther., 333 (1): 129-39. [PMID:20061445]