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

General Information of Drug (ID: DR2429)
Drug Name
Diflorasone diacetate
Synonyms
Diflorasona; Diflorasona [INN-Spanish]; Diflorasone (INN); Diflorasone [INN:BAN]; Diflorasonum; Diflorasonum [INN-Latin]; Maxiflor; Murode; Murode (TN); U 34865; (6S,8S,9R,10S,11S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one; (6alpha,11beta,16beta)-6,9-difluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione; 6a,9a-difluoro-16b-methylprednisolone; 6alpha,9-Difluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
Indication Rosacea [ICD11: ED90] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 494.5 Topological Polar Surface Area 107
Heavy Atom Count 35 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
71414
PubChem SID
855657 ; 7848390 ; 8194611 ; 11466647 ; 11467767 ; 11486513 ; 14761903 ; 24894203 ; 29215002 ; 43127743 ; 47365371 ; 47589149 ; 47736650 ; 48035306 ; 49699029 ; 50019411 ; 50103984 ; 56422226 ; 57318190 ; 57654135 ; 71840216 ; 76963292 ; 85787968 ; 92125524 ; 92720069 ; 99319112 ; 103770528 ; 103914477 ; 104350411 ; 117575834 ; 121363195 ; 124799710 ; 126620401 ; 131310944 ; 134338429 ; 135030323 ; 136135911 ; 137005254 ; 139836966 ; 144115906 ; 144204426 ; 160963571 ; 163134097 ; 163835798 ; 164822906 ; 170465294 ; 175268136 ; 175611936 ; 178103647 ; 179116650
ChEBI ID
CHEBI:31483
CAS Number
2557-49-5
TTD Drug ID
D0G7KJ
Formula
C26H32F2O7
Canonical SMILES
CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)OC(=O)C)C)O)F)C)F
InChI
1S/C26H32F2O7/c1-13-8-17-18-10-20(27)19-9-16(31)6-7-23(19,4)25(18,28)21(32)11-24(17,5)26(13,35-15(3)30)22(33)12-34-14(2)29/h6-7,9,13,17-18,20-21,32H,8,10-12H2,1-5H3/t13-,17-,18-,20-,21-,23-,24-,25-,26-/m0/s1
InChIKey
BOBLHFUVNSFZPJ-JOYXJVLSSA-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
Diflorasone diacetate M1 PDM007167 N. A. Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Diflorasone diacetate M3 PDM007168
3620635
Hydrolysis - Hydrolysis of carboxylic acid ester 1 Human
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Unclear metabolic mechanism (DME-unclear) DME1251 Bacteroides fragilis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1254 Bacteroides thetaiotaomicron Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1256 Bacteroides sartorii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1357 Alistipes indistinctus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1363 Bacteroides cellulosilyticus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1365 Bacteroides dorei Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1376 Bacteroides ovatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1384 Bacteroides vulgatus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1385 Bacteroides xylanisolvens Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1393 Blautia hansenii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1402 Clostridium botulinum Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1444 Odoribacter splanchnicus Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1445 Parabacteroides distasonis Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1446 Parabacteroides johnsonii Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1447 Parabacteroides merdae Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1449 Prevotella copri Not Available Not Available [2]
Unclear metabolic mechanism (DME-unclear) DME1470 Victivallis vadensis Not Available Not Available [2]
⏷ Show the Full List of 17  DME(s)
References
1 Diflorasone diacetate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Mapping human microbiome drug metabolism by gut bacteria and their genes. Nature. 2019 Jun;570(7762):462-467.

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