Ligand id: 9240

Name: AGI-5198

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 67.23
Molecular weight 462.24
XLogP 6.6
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Popovici-Muller J et al.. (2013)
Therapeutically active compositions and their methods of use.
Patent number: US20130184222. Assignee: Agios Pharma. Priority date: 16/07/2010. Publication date: 18/07/2013.
2. Rohle D, Popovici-Muller J, Palaskas N, Turcan S, Grommes C, Campos C, Tsoi J, Clark O, Oldrini B, Komisopoulou E et al.. (2013)
An inhibitor of mutant IDH1 delays growth and promotes differentiation of glioma cells.
Science, 340 (6132): 626-30. [PMID:23558169]