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

General Information of Drug (ID: DR0727)
Drug Name
Flurandrenolide
Synonyms
Floudroxycortide; Fludrossicortide [DCIT]; Fludroxicortida; Fludroxicortida [INN-Spanish]; Fludroxicortide; Fludroxicortidum; Fludroxycortid; Fludroxycortide; Fludroxycortidum; Fludroxycortidum [INN-Latin]; Fluorandrenolone; Fluorandrenolone acetonide; Flurandrenolone; Flurandrenolone acetonide; Haelan; Haldrone-F; L 33379; Sermaka; Alondra-F; CORDRAN SP; Cordran; Drenison; Drocort; flurandrenolide; 1524-88-5; 8EUL29XUQT; Acetonide of 6alpha-fluoro-16alpha-hydroxyhydrocortisone; EINECS 216-196-8; HSDB 3084; UNII-8EUL29XUQT
Indication Psoriasis vulgaris [ICD11: EA90] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 436.5 Topological Polar Surface Area 93.1
Heavy Atom Count 31 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
15209
PubChem SID
855862 ; 7847394 ; 7979291 ; 8161408 ; 10321974 ; 11466673 ; 11467793 ; 11486306 ; 29283181 ; 46505159 ; 47365453 ; 47440538 ; 47960000 ; 48185237 ; 49698604 ; 50019672 ; 50104126 ; 56424122 ; 57328916 ; 71831477 ; 80662145 ; 85787964 ; 92125615 ; 103770995 ; 103914443 ; 104336512 ; 121363286 ; 124800386 ; 126651364 ; 126691320 ; 134221913 ; 134337714 ; 134979670 ; 135925245 ; 137008617 ; 141792094 ; 144204060 ; 144212928 ; 160964187 ; 162184963 ; 162198487 ; 170465298 ; 175268451 ; 175611950 ; 179116699 ; 184580842 ; 196108775 ; 223365941 ; 223660113 ; 226396638
ChEBI ID
CHEBI:5127
CAS Number
1524-88-5
TTD Drug ID
D0Y2YP
Formula
C24H33FO6
Canonical SMILES
CC1(OC2CC3C4CC(C5=CC(=O)CCC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C
InChI
1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
InChIKey
POPFMWWJOGLOIF-XWCQMRHXSA-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
Flurandrenolide M1 PDM007184 N. A. Oxidation - Dehydrogenation of secondary alcohol 1 Human
Flurandrenolide M2 PDM007185 N. A. Reduction - Reduction of carbonyl 1 Human
Flurandrenolide M3 PDM007186 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 Flurandrenolide was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Prediction of cytochrome P450 isoform responsible for metabolizing a drug molecule. BMC Pharmacol. 2010 Jul 16;10:8.

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