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

General Information of Drug (ID: DR0439)
Drug Name
Desonide
Synonyms
Desilux; Desonate; Desonida; Desonida [INN-Spanish]; Desonide [USAN:INN:BAN]; Desonidum; Desonidum [INN-Latin]; Desowen (TN); Flusemidon; Apolar; D-2083; DESONIDE; DesOwen; Hamiltoderm; J280872D1O; Locapred; Prednacinolone; Prenacid; Reticus; Sterax; Steroderm; Topifug; Tridesilon; Tridesonit; Verdeso; Verdeso (TN); Zotinar; 16-alpha-Hydroxyprednisole-16,17-acetonide; 638-94-8; CAS-638-94-8; CHEBI:204734; D 2083; D2083; DSSTox_CID_26756; DSSTox_GSID_46756; DSSTox_RID_81880; EINECS 211-351-6; UNII-J280872D1O
Indication Atopic dermatitis [ICD11: EA80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 416.5 Topological Polar Surface Area 93.1
Heavy Atom Count 30 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
5311066
PubChem SID
7979048 ; 11056247 ; 14855707 ; 17397789 ; 39340794 ; 46506186 ; 49834374 ; 57359343 ; 71840210 ; 74651042 ; 85403370 ; 103771092 ; 104179089 ; 104253319 ; 124757438 ; 125164242 ; 134338433 ; 134975842 ; 135653473 ; 135692232 ; 136311366 ; 137125311 ; 139999928 ; 144206156 ; 160964591 ; 162178659 ; 170464832 ; 175268455 ; 175612227 ; 176484695 ; 178103645 ; 179150829 ; 210279389 ; 210281712 ; 224521289 ; 226395768 ; 251915933 ; 251917281 ; 252347928
ChEBI ID
CHEBI:204734
CAS Number
638-94-8
TTD Drug ID
D02JNM
Formula
C24H32O6
Canonical SMILES
CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C
InChI
1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChIKey
WBGKWQHBNHJJPZ-LECWWXJVSA-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
Desonide M1 PDM007156 N. A. Oxidation - Dehydrogenation of secondary alcohol 1 Human
Desonide M2 PDM007157 N. A. Reduction - Reduction of carbonyl 1 Human
Desonide M3 PDM007158
20037438
Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Desonide M4 PDM007159 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 Desonide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.

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