example 36 [WO2016177845]

Ligand id: 9555

Name: example 36 [WO2016177845]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 79.73
Molecular weight 442.19
XLogP 4.96
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kleinschmidt TK, Haraldsson M, Basavarajappa D, Lundeberg E, Thulasingam M, Ekoff M, Fauland A, Lehmann C, Kahnt AS, Lindbom L et al.. (2015)
Tandem Benzophenone Amino Pyridines, Potent and Selective Inhibitors of Human Leukotriene C4 Synthase.
J. Pharmacol. Exp. Ther., 355 (1): 108-16. [PMID:26283693]
2. Ronn R, Lindh CJ, Ringberg E, Andersson EHB, Nilsson P, Schall WR, Munk af RM, Nikitidis A, Nikitidis G, Johannesson PJ et al.. (2016)
Cyclopropane carboxylic acid derivatives and pharmaceutical uses thereof.
Patent number: WO2016177845. Assignee: Astrazeneca Ab. Priority date: 06/05/2015. Publication date: 10/11/2016.