atecegatran metoxil

Ligand id: 7682

Name: atecegatran metoxil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 126.48
Molecular weight 496.13
XLogP 2.92
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Cook D, Brown D, Alexander R, March R, Morgan P, Satterthwaite G, Pangalos MN. (2014)
Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework.
Nat Rev Drug Discov, 13 (6): 419-31. [PMID:24833294]
2. Lip GY, Rasmussen LH, Olsson SB, Zetterstrand S, Stahre C, Bylock A, Aunes-Jansson M, Eriksson U, W√•hlander K, Steering Committee. (2011)
Oral direct thrombin inhibitor AZD0837 for the prevention of stroke and systemic embolism in patients with non-valvular atrial fibrillation: a Phase II study of AZD0837 in patients who are appropriate for but unable or unwilling to take vitamin K antagonist therapy.
Thromb. Res., 127 (2): 91-9. [PMID:21172721]