finerenone   Click here for help

GtoPdb Ligand ID: 8678

Synonyms: BAY 94-8862
Compound class: Synthetic organic
Comment: Finerenone (BAY 94-8862) is a next generation oral, non-steroidal Mineralocorticoid Receptor antagonist which blocks the deleterious effects of aldosterone. Finerenone is currently in clinical Phase IIb development for the treatment of worsening chronic heart failure [2], as well as diabetic nephropathy.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 110.26
Molecular weight 378.17
XLogP 2.84
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOc1ncc(c2c1C(C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C
Isomeric SMILES CCOc1ncc(c2c1[C@@H](C(=C(N2)C)C(=O)N)c1ccc(cc1OC)C#N)C
InChI InChI=1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1
InChI Key BTBHLEZXCOBLCY-QGZVFWFLSA-N
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Mineralocorticoid receptor Hs Antagonist Antagonist 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.8x10-8 M) [1]