CANRENONE

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Synonyms
Status
Molecule Category Free-form
ATC C03DA03
UNII 78O20X9J0U
EPA CompTox DTXSID3045930

Structure

InChI Key UJVLDDZCTMKXJK-WNHSNXHDSA-N
Smiles C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1
InChI
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O3
Molecular Weight 340.46
AlogP 4.37
Hydrogen Bond Acceptor 3.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Mineralocorticoid receptor antagonist ANTAGONIST PubMed PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 32.01-78.65
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 32.01-78.65

Target Conservation

Protein: Mineralocorticoid receptor
Description: Mineralocorticoid receptor
Organism : Homo sapiens
P08235 ENSG00000151623

Related Entries

Cross References

Resources Reference
ChEBI 135445
ChEMBL CHEMBL1463345
DrugBank DB12221
DrugCentral 478
FDA SRS 78O20X9J0U
Human Metabolome Database HMDB0003033
PubChem 13789
SureChEMBL SCHEMBL19560
ZINC ZINC000003881648
CONTENTS