FLURANDRENOLIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 8EUL29XUQT
EPA CompTox DTXSID2047434

Structure

InChI Key POPFMWWJOGLOIF-XWCQMRHXSA-N
Smiles CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33FO6
Molecular Weight 436.52
AlogP 2.5
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed PubMed
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
- - - - 99.16-129.23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 99.16-129.23

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 5127
ChEMBL CHEMBL1201012
DrugBank DB00846
DrugCentral 1217
FDA SRS 8EUL29XUQT
Human Metabolome Database HMDB0014984
Guide to Pharmacology 7606
PharmGKB PA164750513
PubChem 15209
SureChEMBL SCHEMBL4694
ZINC ZINC000004097308
CONTENTS