DESOXYCORTICOSTERONE ACETATE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 6E0A168OB8
EPA CompTox DTXSID6022894

Structure

InChI Key VPGRYOFKCNULNK-ACXQXYJUSA-N
Smiles CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32O4
Molecular Weight 372.51
AlogP 4.27
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 60.44
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Mineralocorticoid receptor agonist AGONIST PubMed DailyMed
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
- - - - 88.97
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 88.97

Target Conservation

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

Cross References

Resources Reference
ChEBI 34671
ChEMBL CHEMBL1200542
DrugBank DB06780
DrugCentral 821
FDA SRS 6E0A168OB8
KEGG C14554
PubChem 5952
SureChEMBL SCHEMBL4169
ZINC ZINC000004428527
CONTENTS