Ligand id: 9723

Name: (+)-SJ733

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 86.09
Molecular weight 468.12
XLogP 3.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Jiménez-Díaz MB, Ebert D, Salinas Y, Pradhan A, Lehane AM, Myrand-Lapierre ME, O'Loughlin KG, Shackleford DM, Justino de Almeida M, Carrillo AK et al.. (2014)
(+)-SJ733, a clinical candidate for malaria that acts through ATP4 to induce rapid host-mediated clearance of Plasmodium.
Proc. Natl. Acad. Sci. U.S.A., 111 (50): E5455-62. [PMID:25453091]
2.  MMV Annual Report 2018, Chapter 7, R&D platforms and discovery.
Accessed on 27/01/2020. Modified on 27/01/2020. https://www.mmv.org/sites/default/files/uploads/docs/publications/2018/MMV_AR2018_Chapter7.pdf