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

General Information of Drug (ID: DR1028)
Drug Name
Meprednisone
Synonyms
Betalone; Betanisona; Betapar; Betapred; Bitanisone; Deltacortene beta; Deltacortone Beta; Deltisona B; Lepicortin-beta; Sch 4358; 16.beta.-Methylprednisone; 17,21-dihydroxy-16-methylpregna-1,4-diene-3,11,20-trione; 17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione; AC1L1HBY; AC1Q5HJW; AKOS015895270; AN-16122; I06-0768; NSC-527579; NSC527579; Pregna-1,11,20-trione, 17,21-dihydroxy-16-methyl-, (16.beta.)-; Pregna-1,11,20-trione, 17,21-dihydroxy-16.beta.-methyl-
Indication Chronic obstructive pulmonary disease [ICD11: CA22] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 372.5 Topological Polar Surface Area 91.7
Heavy Atom Count 27 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
4063
CAS Number
1247-42-3
TTD Drug ID
D0I5DS
Formula
C22H28O5
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3C(=O)CC2(C1(C(=O)CO)O)C)C
InChI
1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,12,15-16,19,23,27H,4-5,8,10-11H2,1-3H3
InChIKey
PIDANAQULIKBQS-UHFFFAOYSA-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
Meprednisone M1 PDM007237 N. A. Reduction - Reduction of carbonyl 1 Human
Meprednisone M2 PDM007238 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Meprednisone M3 PDM007239 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
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]
References
1 Meprednisone was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Regulation of drug-metabolizing cytochrome P450 enzymes by glucocorticoids. Drug Metab Rev. 2010 Nov;42(4):621-35.

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