DEXAMETHASONE ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1973)
Entry Type: Small molecule
Molecule Category: Salt Prodrug
UNII: K7V8P532WP
Parent Compound: DEXAMETHASONE

Structure
InChI Key AKUJBENLRBOFTD-RPRRAYFGSA-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+/m1/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 ISBN 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
4500 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 106

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 3 D007938 ClinicalTrials
Multiple Myeloma 3 D009101 ClinicalTrials
Pancreatitis 2 D010195 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials
Tooth Diseases 0 D014076 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Infections and infestations
15.94
Gastrointestinal disorders
14.73
Respiratory, thoracic and mediastinal disorders
9.18
General disorders and administration site conditions
8.7
Pregnancy, puerperium and perinatal conditions
6.04
Nervous system disorders
5.56
Vascular disorders
5.31
Injury, poisoning and procedural complications
4.83
Investigations
4.59
Cardiac disorders
4.35
Psychiatric disorders
4.35
Blood and lymphatic system disorders
3.86
Renal and urinary disorders
3.38
Metabolism and nutrition disorders
2.17

Cross References

Resources Reference
CAS NUMBER 1177-87-3
ChEBI 4463
ChEMBL CHEMBL1530428
DrugBank DB14649
DrugCentral 826
EPA CompTox DTXSID8022901
FDA SRS K7V8P532WP
KEGG C08174
PubChem 236702
SureChEMBL SCHEMBL136861
ZINC ZINC000003882068
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