bumetanide

Ligand id: 4837

Name: bumetanide

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 127.1
Molecular weight 364.11
XLogP 2.93
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Hannaert P, Alvarez-Guerra M, Pirot D, Nazaret C, Garay RP. (2002)
Rat NKCC2/NKCC1 cotransporter selectivity for loop diuretic drugs.
Naunyn Schmiedebergs Arch. Pharmacol.365 (3): 193-9. [PMID:11882915]
2. Murakami Y, Kohyama N, Kobayashi Y, Ohbayashi M, Ohtani H, Sawada Y, Yamamoto T. (2005)
Functional characterization of human monocarboxylate transporter 6 (SLC16A5).
Drug Metab. Dispos.33 (12): 1845-51. [PMID:16174808]
3. Yang Y, Fu A, Wu X, Reagan JD. (2012)
GPR35 is a target of the loop diuretic drugs bumetanide and furosemide.
Pharmacology89 (1-2): 13-7. [PMID:22236570]