FLUOROMETHOLONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C05AA06 D07AB06 D07XB04 D10AA01 S01BA07 S01CB05
UNII SV0CSG527L
EPA CompTox DTXSID7047435

Structure

InChI Key FAOZLTXFLGPHNG-KNAQIMQKSA-N
Smiles CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FO4
Molecular Weight 376.47
AlogP 2.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 74.6
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
400 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 85.71-105.67
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 85.71-105.67
Rattus norvegicus
400 - - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 31625
ChEMBL CHEMBL1200600
DrugBank DB00324
DrugCentral 1208
FDA SRS SV0CSG527L
Human Metabolome Database HMDB0014469
Guide to Pharmacology 7079
PharmGKB PA164781355
PubChem 9878
SureChEMBL SCHEMBL5051
ZINC ZINC000118912517
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