eleclazine

Ligand id: 8413

Name: eleclazine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 64.55
Molecular weight 415.11
XLogP 4.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
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Design and modular parallel synthesis of a MCR derived alpha-helix mimetic protein-protein interaction inhibitor scaffold.
Bioorg. Med. Chem. Lett.16 (6): 1740-3. [PMID:16427279]
2. Belardinelli L, Rajamani S, Zeng D. (2015)
Compound and methods for treating long qt syndrome.
Patent number: US20150038489 A1. Assignee: Gilead Sciences, Inc.. Priority date: 01/08/2013. Publication date: 05/02/2015.
3. Cummings MD, Schubert C, Parks DJ, Calvo RR, LaFrance LV, Lattanze J, Milkiewicz KL, Lu T. (2006)
Substituted 1,4-benzodiazepine-2,5-diones as alpha-helix mimetic antagonists of the HDM2-p53 protein-protein interaction.
Chem Biol Drug Des67 (3): 201-5. [PMID:16611213]
4. Grasberger BL, Lu T, Schubert C, Parks DJ, Carver TE, Koblish HK, Cummings MD, LaFrance LV, Milkiewicz KL, Calvo RR et al.. (2005)
Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells.
J. Med. Chem.48 (4): 909-12. [PMID:15715460]
5. Raboisson P, Marugán JJ, Schubert C, Koblish HK, Lu T, Zhao S, Player MR, Maroney AC, Reed RL, Huebert ND et al.. (2005)
Structure-based design, synthesis, and biological evaluation of novel 1,4-diazepines as HDM2 antagonists.
Bioorg. Med. Chem. Lett.15 (7): 1857-61. [PMID:15780621]