Ligand id: 8906

Name: CD2314

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 65.54
Molecular weight 364.15
XLogP 9.5
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Spanjaard RA, Ikeda M, Lee PJ, Charpentier B, Chin WW, Eberlein TJ. (1997)
Specific activation of retinoic acid receptors (RARs) and retinoid X receptors reveals a unique role for RARgamma in induction of differentiation and apoptosis of S91 melanoma cells.
J. Biol. Chem., 272 (30): 18990-9. [PMID:9228081]
2. Zhao X, Graves C, Ames SJ, Fisher DE, Spanjaard RA. (2009)
Mechanism of regulation and suppression of melanoma invasiveness by novel retinoic acid receptor-gamma target gene carbohydrate sulfotransferase 10.
Cancer Res., 69 (12): 5218-25. [PMID:19470764]