ORG-34517

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Synonyms
Status
Molecule Category Free-form
UNII 17VAN37K4Y

Structure

InChI Key DFELGYQKEOCHOA-RBXNTRDFSA-N
Smiles CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc4c(c3)OCO4)C[C@@]21C
InChI
InChI=1S/C28H30O4/c1-3-11-28(30)12-10-23-21-7-4-17-13-19(29)6-8-20(17)26(21)22(15-27(23,28)2)18-5-9-24-25(14-18)32-16-31-24/h5,9,13-14,21-23,30H,4,6-8,10,12,15-16H2,1-2H3/t21?,22-,23?,27+,28+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H30O4
Molecular Weight 430.54
AlogP 5.07
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 55.76
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor antagonist ANTAGONIST PubMed

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580

Cross References

Resources Reference
ChEMBL CHEMBL3545391
FDA SRS 17VAN37K4Y
PubChem 9867361
SureChEMBL SCHEMBL11914193
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