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

General Information of Drug (ID: DR0496)
Drug Name
Difluprednate
Synonyms
Difluprednato; Difluprednato [INN-Spanish]; Difluprednatum; CM 9155; Difluprednate [USAN:INN:JAN]; Difluprednatum [INN-Latin]; Durezol; Epitopic; S8A06QG2QE; W-6309; difluprednate; 23674-86-4; C27H34F2O7; CHEBI:31485; DFBA; Difluoroprednisolone butyrate acetate; MFCD00214273; MLS000028663; MLS001148580; Myser; SMR000058924; UNII-S8A06QG2QE; [(6S,8S,9R,10S,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-6,9-difluoro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
Indication Anterior uveitis [ICD11: 9A96] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 508.5 Topological Polar Surface Area 107
Heavy Atom Count 36 Rotatable Bond Count 8
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
443936
PubChem SID
583085 ; 856020 ; 7848329 ; 7979081 ; 10299429 ; 14811237 ; 16650119 ; 24894018 ; 36887084 ; 51530976 ; 56422387 ; 56423155 ; 57404556 ; 71840218 ; 91703898 ; 99443292 ; 103771485 ; 104630981 ; 124799718 ; 134995746 ; 137239501 ; 139999922 ; 144206181 ; 160967909 ; 162184652 ; 163835796 ; 164178105 ; 165235879 ; 175268498 ; 179150205 ; 187051777 ; 210275696 ; 210281355 ; 223441703 ; 226396555 ; 252359500
ChEBI ID
CHEBI:31485
CAS Number
23674-86-4
TTD Drug ID
D01ZOG
Formula
C27H34F2O7
Canonical SMILES
CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C
InChI
1S/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3/t17-,18-,20-,21-,24-,25-,26-,27-/m0/s1
InChIKey
WYQPLTPSGFELIB-JTQPXKBDSA-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
Difluoroprednisolone butyrate DM000076
129734923
Oxidation - Deacetylation 1 [3]
Droxyfluoroprednisolone butyrate DM000077 N. A. Oxidation - N-Dealkylation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR002841 Difluprednate Difluoroprednisolone butyrate Oxidation - Deacetylation Unclear [3]
MR002842 Difluprednate Droxyfluoroprednisolone butyrate Oxidation - N-Dealkylation Unclear [4]
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 Difluprednate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Prevalence of non-cytochrome P450-mediated metabolism in food and drug administration-approved oral and intravenous drugs: 2006-2015. Drug Metab Dispos. 2016 Aug;44(8):1246-52.
3 Bioavailability of generic 0.05% difluprednate emulsion in the aqueous humor, cornea, and conjunctiva of New Zealand rabbits after a single dose compared with commercial difluprednate
4 DrugBank(Pharmacology-Metabolism)Difluprednate

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