Structure

InChI Key BTBHLEZXCOBLCY-QGZVFWFLSA-N
Smile CCOc1ncc(C)c2c1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H22N4O3
Molecular Weight 378.43
AlogP 2.99
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 110.26
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mineralocorticoid receptor antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Renal Insufficiency, Chronic 4 D051436 FDA
Heart Failure 3 D006333 ClinicalTrials
Diabetic Nephropathies 3 D003928 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2181927
DrugBank DB16165
EPA CompTox DTXSID10146928
FDA SRS DE2O63YV8R
Guide to Pharmacology 8678
PubChem 60150535
SureChEMBL SCHEMBL8157011