sorbinil   Click here for help

GtoPdb Ligand ID: 7415

Synonyms: CP-45634
PDB Ligand
Compound class: Synthetic organic
Comment: Chemical structure is derived from [5]. Sorbinil is an experimental aldose reductase inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 67.43
Molecular weight 236.06
XLogP 1
No. Lipinski's rules broken 0
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Canonical SMILES Fc1cc2C3(CCOc2cc1)NC(=O)NC3=O
Isomeric SMILES Fc1cc2[C@]3(CCOc2cc1)NC(=O)NC3=O
InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
aldo-keto reductase family 1 member B Hs Inhibitor Inhibition 5.3 pIC50 - 4
pIC50 5.3 (IC50 5.4x10-6 M) [4]