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

General Information of Drug (ID: DR0713)
Drug Name
Fluocinolone acetonide
Synonyms
Flucinar; Flucort; Fluocet; Fluocinolonacetonidum; Fluocinolone 16,17-acetonide; Fluocinolone acetonide [DCIT]; Fluocinoloni acetonidum; Fluonid; Fluotrex; Fluovitif; Flupollon; Fs Shampoo; Iluvien; Jellin; Localyn; Localyn Syntex; Acetonide de fluocinolone; Coriphate; Cortiplastol; Derma-smoothe/fs; Dermalar; Dermatin (steroid); FLUOCINOLONE ACETONIDE; Neo-Synalar; Omniderm; Percutina; Prodermin; Radiocin; Retisert; Sinalar; Synalar; Synalar-HP; Synamol; Synandone; Synandrone; Synemol; Synotic; Synsac; Tefunote; 67-73-2; Capex
Indication Atopic dermatitis [ICD11: EA80] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 452.5 Topological Polar Surface Area 93.1
Heavy Atom Count 32 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
6215
PubChem SID
221901 ; 398387 ; 855535 ; 7848887 ; 8153903 ; 11446394 ; 12173607 ; 14906599 ; 14931123 ; 24894978 ; 25653430 ; 29225213 ; 46506244 ; 50019426 ; 56422130 ; 57288777 ; 57323264 ; 57654197 ; 78519291 ; 87560013 ; 92309170 ; 92717058 ; 103261079 ; 103804966 ; 104170060 ; 104253637 ; 104311430 ; 117585830 ; 121362472 ; 124799361 ; 126592956 ; 126622532 ; 126654102 ; 131465784 ; 134222020 ; 134338094 ; 134970880 ; 136166211 ; 137004589 ; 139809249 ; 144204420 ; 144212681 ; 152102563 ; 160843984 ; 160963936 ; 170464630 ; 172080685 ; 174530283 ; 175266910 ; 175612171
ChEBI ID
CHEBI:31623
CAS Number
67-73-2
TTD Drug ID
D02QJH
Formula
C24H30F2O6
Canonical SMILES
CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C
InChI
1S/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,21-,22-,23-,24+/m0/s1
InChIKey
FEBLZLNTKCEFIT-VSXGLTOVSA-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
Fluocinolone acetonide M1 PDM007180 N. A. Reduction - Reduction of carbonyl 1 Human
Fluocinolone acetonide M2 PDM007181 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Fluocinolone acetonide M3 PDM007182 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 Fluocinolone Acetonide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolic pathways of inhaled glucocorticoids by the CYP3A enzymes. Drug Metab Dispos. 2013 Feb;41(2):379-89.

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.