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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
GPR35 Hs Agonist Agonist 5.0 – 5.5 pEC50 - 3
pEC50 5.0 – 5.5 [3]
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kidney-specific Na-K-Cl symporter Hs Inhibitor Inhibition 6.5 pIC50 - 1
pIC50 6.5 [1]
Basolateral Na-K-Cl symporter Hs Inhibitor Inhibition 5.6 pIC50 - 1
pIC50 5.6 [1]
Targets where the ligand is described in the comment field
Target Comment