Structure

InChI Key XTULMSXFIHGYFS-VLSRWLAYSA-N
Smiles C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
InChI
InChI=1S/C27H29F3O6S/c1-14-9-16-17-11-19(29)18-10-15(31)6-7-24(18,2)26(17,30)21(32)12-25(16,3)27(14,23(34)37-13-28)36-22(33)20-5-4-8-35-20/h4-8,10,14,16-17,19,21,32H,9,11-13H2,1-3H3/t14-,16+,17+,19+,21+,24+,25+,26+,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H29F3O6S
Molecular Weight 538.58
AlogP 4.93
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 93.81
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 37.0

Pharmacology

Target Conservation

Protein: Glucocorticoid receptor

Description: Glucocorticoid receptor

Organism : Homo sapiens

P04150 ENSG00000113580

Cross References

Resources Reference
ChEBI 74899
ChEMBL CHEMBL1676
DrugBank DB08906
DrugCentral 4554
FDA SRS JS86977WNV
Guide to Pharmacology 10892
PDB GW6
PubChem 9854489
SureChEMBL SCHEMBL140504
ZINC ZINC000003992105