Ligand id: 9020

Name: AT38

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 142.59
Molecular weight 279.05
XLogP 0.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Molon B, Ugel S, Del Pozzo F, Soldani C, Zilio S, Avella D, De Palma A, Mauri P, Monegal A, Rescigno M et al.. (2011)
Chemokine nitration prevents intratumoral infiltration of antigen-specific T cells.
J. Exp. Med., 208 (10): 1949-62. [PMID:21930770]
2. Viola A, Bronte E, Crosetti M, Lazzarato L, Fruttero R, Gasco A. (2011)
Novel water soluble furoxan derivatives having antitumor activity.
Patent number: WO2011104671 A1. Assignee: Humanitas Mirasole S.P.A., Istituto Oncologico Veneto Irccs. Priority date: 23/02/2010. Publication date: 01/09/2011.