BETAMETHASONE ACETATE

Search structure
Synonyms:
Status: Approved (1965)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TI05AO53L7

Structure
InChI Key AKUJBENLRBOFTD-QZIXMDIESA-N
Smile CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI
InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H31FO6
Molecular Weight 434.5
AlogP 2.47
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 100.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 6.464
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 3.49-8.96

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 3 D010003 ClinicalTrials
Tendinopathy 3 D052256 ClinicalTrials
Low Back Pain 1 D017116 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 31275
ChEMBL CHEMBL1200538
DrugCentral 349
EPA CompTox DTXSID8022668
FDA SRS TI05AO53L7
PubChem 443967
SureChEMBL SCHEMBL7592
ZINC ZINC000004212130
CONTENTS