Structure

InChI Key MYYIMZRZXIQBGI-HVIRSNARSA-N
Smile C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
InChI
InChI=1S/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27FO5
Molecular Weight 378.44
AlogP 1.51
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 94.83
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist ISBN PubMed

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 53-34-9
ChEBI 34474
ChEMBL CHEMBL1200774
DrugBank DB09378
DrugCentral 1216
EPA CompTox DTXSID5046067
FDA SRS 9H05937G3X
PubChem 5876
SureChEMBL SCHEMBL24232
ZINC ZINC000003875362