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

General Information of Drug (ID: DR0705)
Drug Name
Fludrocortisone
Synonyms
Florinef; Fludrocortisona; Fludrocortisona [INN-Spanish]; Fludrocortisonum; Fludrocortisonum [INN-Latin]; Fludrocortone; Fludrone; Fludronef; Fluodrocortisone; Fluohydrisone; Fluohydrocortisone; Fluorocortisol; Fluorocortisone; StC 1400; Alflorone; Astonin-H; Cortisol, 9-fluoro-; fludrocortisone; 127-31-1; 9 .alpha. FF; 9 alpha FF; 9-AF; 9-AFH; 9-Fluorocortisol; 9-Fluorohydrocortisone; 9-alpha-Fludrocortisone; 9-alpha-Fluorocortisol; 9.alpha.-Fluorocortisol; 9alpha-Fludrocortisone; 9alpha-Fluorocortisol; F-COL; F-Cortef
Indication Hyponatraemia [ICD11: 5C72] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 380.4 Topological Polar Surface Area 94.8
Heavy Atom Count 27 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
31378
PubChem SID
9217 ; 76336 ; 7891224 ; 7979235 ; 8172141 ; 10321611 ; 15375738 ; 24702328 ; 34673521 ; 46508616 ; 46508716 ; 48416020 ; 50019673 ; 50125791 ; 50864760 ; 56352851 ; 57311202 ; 71831474 ; 85286070 ; 96024662 ; 104234355 ; 104310733 ; 117567350 ; 123059725 ; 126651363 ; 126687973 ; 127307282 ; 127379594 ; 134338350 ; 135269929 ; 135650268 ; 137003338 ; 139326855 ; 144080988 ; 144206253 ; 144206895 ; 160963328 ; 160964032 ; 162176728 ; 164841599 ; 170464959 ; 175266519 ; 179214416 ; 196108113 ; 196404089 ; 223657072 ; 226396521 ; 249910373
ChEBI ID
ChEBI:50885
CAS Number
127-31-1
TTD Drug ID
D0R7JT
Formula
C21H29FO5
Canonical SMILES
CC12CCC(=O)C=C1CCC3C2(C(CC4(C3CCC4(C(=O)CO)O)C)O)F
InChI
1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-16,23,25,27H,3-8,10-11H2,1-2H3/t14-,15-,16-,18-,19-,20-,21-/m0/s1
InChIKey
AAXVEMMRQDVLJB-BULBTXNYSA-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
20beta-dihydrofluorocortisol DM006279 N. A. Unclear 1 [3]
6beta-hydroxyfluorocortisol DM006280 N. A. Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006736 Fludrocortisone 20beta-dihydrofluorocortisol Unclear Unclear [3]
MR006737 Fludrocortisone 6beta-hydroxyfluorocortisol Unclear Unclear [3]
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 Fludrocortisone 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.
3 Cortisol metabolism by human liver in vitro--IV. Metabolism of 9 alpha-fluorocortisol by human liver microsomes and cytosol

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