Trade Names
Synonyms
Status
Molecule Category UNKNOWN
ATC H02AB15
UNII 67U96J8P35
EPA CompTox DTXSID8023260

Structure

InChI Key PIDANAQULIKBQS-RNUIGHNZSA-N
Smiles C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,19+,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O5
Molecular Weight 372.46
AlogP 2.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 91.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Bioactivity

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST ISBN Expert PubMed Wikipedia
Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580

Related Entries

Cross References

Resources Reference
ChEBI 135573
ChEMBL CHEMBL1201148
DrugBank DB09383
DrugCentral 1702
FDA SRS 67U96J8P35
PubChem 5284587
SureChEMBL SCHEMBL9512
ZINC ZINC000004216862