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

General Information of Drug (ID: DR0430)
Drug Name
Deflazacort
Synonyms
Deflazacort [USAN:BAN:INN]; Deflazacortum [INN-Latin]; LS-118522; Lantadin; SC-16106; SCHEMBL4019; 11beta,21-Dihydroxy-2'-methyl-5'betaH-pregna-1,4-dieno(17,16-d)oxazole-3,20-dione 21-acetate; 5'-beta-H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 11-beta,21-dihydroxy-2'-methyl-, 21-acetate; 5'H-Pregna-1,4-dieno(17,16-d)oxazole-3,20-dione, 21-(acetyloxy)-11-hydroxy-2'-methyl-, (11beta,16beta)-; AC1L1BQ2; AN-851; C25H33NO6; CTK8F9001; EINECS 238-483-7; FT-0603120; I06-0337
Indication Muscular dystrophy [ICD11: 8C70] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 441.5 Topological Polar Surface Area 102
Heavy Atom Count 32 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
26709
PubChem SID
29293537 ; 50019505 ; 57310307 ; 78434559 ; 81041118 ; 104298055 ; 125341126 ; 126667087 ; 136298778 ; 137231389 ; 163133908 ; 164788299 ; 223659443 ; 226396091 ; 251887654
CAS Number
14484-47-0
TTD Drug ID
D09WYX
Formula
C25H31NO6
Canonical SMILES
CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C
InChI
1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3
InChIKey
FBHSPRKOSMHSIF-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
21-Deflazacort DM001955
29935081
Oxidation - Deacetylation 1 [4]
1,2-epoxy-3-OH-21-desDFZ DM001960 N. A. Unclear 2 [5]
6alphalpha-OH-21-desDFZ (VI) DM001957
46781779
Unclear 2 [4]
Deflazacort 6-beta-OH DM001956
29981402
Unclear 2 [4]
Deflazacort metaboite M397/1 DM001958 N. A. Unclear 2 [5]
Deflazacort metaboite M401/2 DM001959 N. A. Unclear 2 [5]
Deflazacort metaboite M417/2 DM001961 N. A. Unclear 2 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000765 Deflazacort 21-Deflazacort Oxidation - Deacetylation Unclear [4]
MR000759 21-Deflazacort Deflazacort 6-beta-OH Unclear CYP3A4 [4]
MR000760 21-Deflazacort 6alphalpha-OH-21-desDFZ (VI) Unclear Unclear [4]
MR000761 21-Deflazacort Deflazacort metaboite M397/1 Unclear Unclear [5]
MR000762 21-Deflazacort Deflazacort metaboite M401/2 Unclear Unclear [5]
MR000763 21-Deflazacort 1,2-epoxy-3-OH-21-desDFZ Unclear Unclear [5]
MR000764 21-Deflazacort Deflazacort metaboite M417/2 Unclear Unclear [5]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1357 Alistipes indistinctus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1363 Bacteroides cellulosilyticus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1366 Bacteroides eggerthii Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1375 Bacteroides intestinalis Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1376 Bacteroides ovatus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1378 Bacteroides uniformis Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1391 Bifidobacterium ruminatum Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1425 Eubacterium rectale Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1445 Parabacteroides distasonis Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1446 Parabacteroides johnsonii Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1447 Parabacteroides merdae Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1449 Prevotella copri Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1470 Victivallis vadensis Not Available Not Available [3]
⏷ Show the Full List of 23  DME(s)
References
1 Deflazacort was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mechanisms and clinical significance of pharmacokinetic-based drug-drug interactions with drugs approved by the U.S. Food and Drug Administration in 2017. Drug Metab Dispos. 2019 Feb;47(2):135-144.
3 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.
4 Force degradation behavior of glucocorticoid deflazacort by UPLC: isolation, identification and characterization of degradant by FTIR, NMR and mass analysis J Biomed Res. 2016 Mar;30(2):149-161. doi: 10.7555/JBR.30.20150074.
5 Metabolite V, an epoxide species is a minor circulating metabolite in humans following a single oral dose of deflazacort Pharmacol Res Perspect. 2020 Dec;8(6):e00677. doi: 10.1002/prp2.677.

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