DEXAMETHASONE

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A01AC02 C05AA09 D07AB19 D07XB05 D10AA03 H02AB02 R01AD03 S01BA01 S01CB01 S02BA06 S03BA01
UNII 7S5I7G3JQL
EPA CompTox DTXSID3020384

Structure

InChI Key UREBDLICKHMUKA-CXSFZGCWSA-N
Smiles C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
InChI
InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29FO5
Molecular Weight 392.47
AlogP 1.9
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 28.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor agonist AGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease SC clan Serine protease S33 family
- - - - 59.4
Secreted protein
- - - - 49.9
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
0.1-17 0.5-22 2-19 0.69-5.5 7-21
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
- 33-40 - 0.36-7.2 30
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 440 - 561-778 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - -12.5-103.89
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 30
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - - - 45-88
Cricetulus griseus
- - - - 103.89
Homo sapiens
0.1-130 0.3162-610 2-19 0.36-778 -12.5-94
Mus musculus
- 0.1-980 - - 0.016-102
Rattus norvegicus
1.995 2.3-22 - - 17-100
Sus scrofa
- - - - 20-35

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 41879
ChEMBL CHEMBL384467
DrugBank DB01234
DrugCentral 824
FDA SRS 7S5I7G3JQL
Human Metabolome Database HMDB0015364
Guide to Pharmacology 3447
KEGG C15643
PDB DEX
PharmGKB PA449247
PubChem 5743
SureChEMBL SCHEMBL3774
ZINC ZINC000003875332
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