DEXAMETHASONE SODIUM PHOSPHATE

Search structure
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: AI9376Y64P

Structure
InChI Key MQRFYYBWKRACSJ-WKSAPEMMSA-M
Smile 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)COP(=O)([O-])O.[Na+]
InChI
InChI=1S/C22H30FO8P.Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);/q;+1/p-1/t12-,15+,16+,17+,19+,20+,21+,22+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28FNa2O8P
Molecular Weight 516.41
AlogP 2.01
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 141.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 29.69
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -37.85-0.59

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ataxia Telangiectasia 3 D001260 ClinicalTrials
Joint Diseases 3 D007592 ClinicalTrials
Peripheral Arterial Disease 2 D058729 ClinicalTrials
Ischemia 2 D007511 ClinicalTrials
Hematologic Neoplasms 1 D019337 ClinicalTrials
Plasmacytoma 1 D010954 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials
Severe Acute Respiratory Syndrome 1 D045169 ClinicalTrials
Spinal Stenosis 1 D013130 ClinicalTrials
Influenza, Human 1 D007251 ClinicalTrials
Multiple Sclerosis, Relapsing-Remitting 1 D020529 ClinicalTrials
Rotator Cuff Injuries 1 D000070636 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4462
ChEMBL CHEMBL2021430
EPA CompTox DTXSID3047429
FDA SRS AI9376Y64P
SureChEMBL SCHEMBL7778
CONTENTS