Ligand id: 4594

Name: dapagliflozin

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Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 99.38
Molecular weight 408.13
XLogP 2.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kang SY, Song KS, Lee J, Lee SH, Lee J. (2010)
Synthesis of pyridazine and thiazole analogs as SGLT2 inhibitors.
Bioorg. Med. Chem., 18 (16): 6069-79. [PMID:20637636]
2. Li AR, Zhang J, Greenberg J, Lee T, Liu J. (2011)
Discovery of non-glucoside SGLT2 inhibitors.
Bioorg. Med. Chem. Lett., 21 (8): 2472-5. [PMID:21398124]
3. McMurray JJV, Solomon SD, Inzucchi SE, Køber L, Kosiborod MN, Martinez FA, Ponikowski P, Sabatine MS, Anand IS, Bělohlávek J et al.. (2019)
Dapagliflozin in Patients with Heart Failure and Reduced Ejection Fraction.
N. Engl. J. Med., 381 (21): 1995-2008. [PMID:31535829]