BETAMETHASONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07EA04 C05AA05 D07AC01 D07XC01 H02AB01 R01AD06 R03BA04 S01BA06 S01CB04 S02BA07 S03BA03
UNII 9842X06Q6M
EPA CompTox DTXSID3022667

Structure

InChI Key UREBDLICKHMUKA-DVTGEIKXSA-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-/m0/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(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 76.17-102.69
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 76.17-102.69
Homo sapiens
- 13-300 - - 72-87
Mus musculus
- - - - 46
Rattus norvegicus
- - - - 63

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEBI 3077
ChEMBL CHEMBL632
DrugBank DB00443
DrugCentral 348
FDA SRS 9842X06Q6M
Human Metabolome Database HMDB0014586
Guide to Pharmacology 7061
PharmGKB PA164754818
PubChem 9782
SureChEMBL SCHEMBL4565
ZINC ZINC000003876136
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