HX 531

Ligand id: 8079

Name: HX 531

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 96.04
Molecular weight 483.22
XLogP 7.91
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Ebisawa M, Umemiya H, Ohta K, Fukasawa H, Kawachi E, Christoffel G, Gronemeyer H, Tsuji M, Hashimoto Y, Shudo K et al.. (1999)
Retinoid X receptor-antagonistic diazepinylbenzoic acids.
Chem. Pharm. Bull., 47 (12): 1778-86. [PMID:10748721]
2. Sakaki J, Konishi K, Kishida M, Gunji H, Kanazawa T, Uchiyama H, Fukaya H, Mitani H, Kimura M. (2007)
Synthesis and structure-activity relationship of RXR antagonists based on the diazepinylbenzoic acid structure.
Bioorg. Med. Chem. Lett., 17 (17): 4808-11. [PMID:17651969]