Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0451)
Drug Name
Dexamethasone acetate
Synonyms
Dexamethasone (acetate); Dexamethasone 21-acetate; Dexamethasone acetate anhydrous; Dexamethasone-21-acetate; Fortecortin (crystal suspension); K7V8P532WP; MFCD00027407; MLS000028544; MLS001148106; NSC 39471; Panasone; SMR000058327; UNII-K7V8P532WP; Dexamethason acetate; Decaderm; Dexamethasone; Decadron; Decasone; Decaspray; Dectancyl; Dekacort; Deltafluorene; Dergramin; Desadrene; Desametasone; Desamethasone; Desameton; Dexacort; Dexadeltone; Dexalona; Dexameth; Dexamethazone; Dexapolcort; Dexason; Dexasone; Dexone; Dextelan; Dinormon; Fluormethylprednisolone; Fortecortin; Gammacorten; Hexadecadrol; Hexadrol; Maxidex; Mediamethasone; Mexidex; Millicorten; Mymethasone; Oradexon; Prednisolon F; Prednisolone F; Superprednol; Turbinaire; Visumetazone; dexamethasone; 1950/2/2; Aphtasolon; Auxiron; Azium; Calonat; Corsone; Cortisumman; 1177-87-3; 9.alpha.-Fluoro-16.alpha.-methylprednisolone acetate; 9alpha-Fluoro-16alpha-methylprednisolone-21-acetate; CHEBI:4463; CHEMBL1530428; DEXAMETHASONE ACETATE; DSSTox_CID_2901; DSSTox_GSID_22901; DSSTox_RID_76780; Decadronal; Dectan; Dex-Cortidelt acetate
Indication Rheumatoid arthritis [ICD11: FA20] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 434.5 Topological Polar Surface Area 101
Heavy Atom Count 31 Rotatable Bond Count 4
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
236702
ChEBI ID
CHEBI:4463
CAS Number
1177-87-3
TTD Drug ID
D0IT2G
Formula
C24H31FO6
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C
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
InChIKey
AKUJBENLRBOFTD-RPRRAYFGSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Amcinonide M1 PDM007077
21980959
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Dexamethasone acetate M1 PDM007162
3003
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Dexamethasone acetate M3 PDM007163 N. A. Conjugation - 17-OH-Glucuronidation of sterol 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Carboxylesterase 2 (CES2) DME0057 Homo sapiens
EST2_HUMAN
3.1.1.1
[2]
Corticosteroid 11-beta-dehydrogenase 2 (HSD11B2) DME0419 Homo sapiens
DHI2_HUMAN
1.1.1.B40
[3]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[4]
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[5]
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_HUMAN
1.14.14.1
[6]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [7]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [7]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [7]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [7]
Unclear metabolic mechanism (DME-unclear) DME1379 Bacteroides stercoris Not Available Not Available [7]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [7]
Unclear metabolic mechanism (DME-unclear) DME1401 Clostridium scindens Not Available Not Available [7]
⏷ Show the Full List of 12  DME(s)
References
1 Dexamethasone Sodium Phosphate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 In vitro metabolism of dexamethasone cipecilate, a novel synthetic corticosteroid, in human liver and nasal mucosa. Xenobiotica. 2011 Oct;41(10):874-84.
3 Metabolism of synthetic steroids by the human placenta. Placenta. 2007 Jan;28(1):39-46.
4 Identification of drugs inhibiting the in vitro metabolism of tacrolimus by human liver microsomes. Br J Clin Pharmacol. 1996 Mar;41(3):187-90.
5 Regulation of CYP3A5 by glucocorticoids and cigarette smoke in human lung-derived cells. J Pharmacol Exp Ther. 2003 Feb;304(2):745-52.
6 Cytotoxicity of chloroacetanilide herbicide alachlor in HepG2 cells independent of CYP3A4 and CYP3A7. Food Chem Toxicol. 2007 May;45(5):871-7.
7 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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