dapagliflozin

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

Selectivity at transporters
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Sodium/glucose cotransporter 2 Hs Inhibitor Inhibition 9.3 pIC50 - 1
pIC50 9.3 (IC50 4.9x10-10 M) [1]
Sodium/glucose cotransporter 1 Hs Inhibitor Inhibition 6.4 pIC50 - 2
pIC50 6.4 (IC50 3.7x10-7 M) [2]