Ligand id: 7408

Name: eribaxaban

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 90.98
Molecular weight 484.13
XLogP 3.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bondarenko M, Curti C, Montana M, Rathelot P, Vanelle P. (2013)
Efficacy and toxicity of factor Xa inhibitors.
J Pharm Pharm Sci, 16 (1): 74-88. [PMID:23683607]
2. Cohen AT, Boyd RA, Mandema JW, Dicarlo L, Pak R, A5571010 Investigators. (2013)
An adaptive-design dose-ranging study of PD 0348292, an oral factor Xa inhibitor, for thromboprophylaxis after total knee replacement surgery.
J. Thromb. Haemost., 11 (8): 1503-10. [PMID:23782955]
3. Eriksson BI, Quinlan DJ, Weitz JI. (2009)
Comparative pharmacodynamics and pharmacokinetics of oral direct thrombin and factor xa inhibitors in development.
Clin Pharmacokinet, 48 (1): 1-22. [PMID:19071881]
4. Van Huis CA, Casimiro-Garcia A, Bigge CF, Cody WL, Dudley DA, Filipski KJ, Heemstra RJ, Kohrt JT, Leadley Jr RJ, Narasimhan LS et al.. (2009)
Exploration of 4,4-disubstituted pyrrolidine-1,2-dicarboxamides as potent, orally active Factor Xa inhibitors with extended duration of action.
Bioorg. Med. Chem., 17 (6): 2501-11. [PMID:19231206]