Ligand id: 7695

Name: AZD4017

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 107.83
Molecular weight 419.22
XLogP 4.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Eckel RH, Grundy SM, Zimmet PZ. (2005)
The metabolic syndrome.
Lancet, 365 (9468): 1415-28. [PMID:15836891]
2. McCoull W, Packer M, Scott JS , Whittamore PRO. (2009)
Chemical compounds.
Patent number: US20090306075. Assignee: Astrazeneca Ab. Priority date: 03/11/2006. Publication date: 10/12/2009.
3. Scott JS, Bowker SS, Deschoolmeester J, Gerhardt S, Hargreaves D, Kilgour E, Lloyd A, Mayers RM, McCoull W, Newcombe NJ et al.. (2012)
Discovery of a potent, selective, and orally bioavailable acidic 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017).
J. Med. Chem., 55 (12): 5951-64. [PMID:22691057]
4. Stimson RH, Walker BR. (2007)
Glucocorticoids and 11beta-hydroxysteroid dehydrogenase type 1 in obesity and the metabolic syndrome.
Minerva Endocrinol., 32 (3): 141-59. [PMID:17912154]
5. Walker BR. (2007)
Glucocorticoids and cardiovascular disease.
Eur. J. Endocrinol., 157 (5): 545-59. [PMID:17984234]