Drug Details

General Information of the Drug (ID: DR6763)
Name
Dexamethasone
Synonyms
Decadron; Dexamethazone; Maxidex; Prednisolone F; Decaspray; Desametasone; Hexadecadrol; Hexadrol; Dexasone; Oradexon; Dexacort; Deltafluorene; Superprednol; Visumetazone; Mediamethasone; Desamethasone; Dergramin; Mymethasone; Dinormon; Dexapolcort; Dexalona; Desameton; Desadrene; Cortisumman; Aphtasolon; Turbinaire; Dextelan; Dexameth; Decaderm; Millicorten; Gammacorten; Fortecortin; Dexadeltone; Dekacort; Dectancyl; Decasone; Dexason; Mexidex; Dexone; Calonat; Corsone; Auxiron; Fluormethylprednisolone; Azium; Dexa-Cortisyl
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Molecular Type
Small molecule
Disease Rheumatoid arthritis [ICD-11: FA20] Approved [1]
Structure
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2D MOL

3D MOL

ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability
Clearance
The drug present in the plasma can be removed from the body at the rate of 3.3 mL/min/kg
Elimination
2.6% of drug is excreted from urine in the unchanged form
Half-life
The concentration or amount of drug in body reduced by one-half in 3.7 hours
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.3276 micromolar/kg/day
Unbound Fraction
The unbound fraction of drug in plasma is 0.32%
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.94 L/kg
Water Solubility
The ability of drug to dissolve in water is measured as 0.092 mg/mL
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
Formula
C22H29FO5
PubChem CID
5743
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C
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
InChIKey
UREBDLICKHMUKA-CXSFZGCWSA-N
CAS Number
CAS 50-02-2
TTD Drug ID
D0IT2G
DrugBank ID
DB01234
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Genistein      Glycine max     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression CDKN1A  Molecule Info 
Pathway MAP
                    In-vitro Model COLO 320 CVCL_1989 Colon adenocarcinoma Homo sapiens
                    Experimental
                    Result(s)		 The combined effects of dexamethasone and genistein on the induction of p21 protein and activation of p21 promoter were synergistic.
Target and Pathway
Target(s) Glucocorticoid receptor (NR3C1)  Molecule Info  [3]
KEGG Pathway Neuroactive ligand-receptor interaction Click to Show/Hide
NetPath Pathway IL2 Signaling Pathway Click to Show/Hide
2 TCR Signaling Pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling Click to Show/Hide
2 Signaling events mediated by HDAC Class II
3 FOXA2 and FOXA3 transcription factor networks
4 Glucocorticoid receptor regulatory network
5 Regulation of Androgen receptor activity
6 AP-1 transcription factor network
Reactome BMAL1:CLOCK,NPAS2 activates circadian gene expression Click to Show/Hide
WikiPathways Serotonin Receptor 4/6/7 and NR3C Signaling Click to Show/Hide
2 SIDS Susceptibility Pathways
3 Nuclear Receptors Meta-Pathway
4 Endoderm Differentiation
5 Hair Follicle Development: Cytodifferentiation (Part 3 of 3)
6 Adipogenesis
7 Circadian Clock
8 Nuclear Receptors
References
Reference 1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3447).
Reference 2 Synergistic effects of dexamethasone and genistein on the expression of Cdk inhibitor p21WAF1/CIP1 in human hepatocellular and colorectal carcinoma cells. Int J Oncol. 2001 May;18(5):997-1002.
Reference 3 Interaction between the glucocorticoid and erythropoietin receptors in human erythroid cells. Exp Hematol. 2009 May;37(5):559-72.
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