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

General Information of Drug (ID: DR0461)
Drug Name
Dexamethasone sodium phosphate
Synonyms
Dexadreson; Spersadox; Soldesam; Dexagro; Decdan; Solu-Decadron; Maxidex Ointment; Decadron phosphate; Dexamethasone disodium phosphate; Hexadrol Injectable; 55203-24-2; Sodium dexamethasone phosphate; Dexamethasone 21-(disodium phosphate); UNII-AI9376Y64P; Disodium dexamethasone phosphate; Dexamethasone phosphate disodium; 21-Disodium phosphate dexamethasone; EINECS 219-243-0; Dexamethasone-21-phosphate disodium salt; DEXAMETHASONE SODIUM PHOSPHATE; 2392-39-4; Dexamethasone 21-phosphate disodium salt; Dalalone; Megacort
Indication Ataxia-telangiectasia [ICD11: 4A01] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 516.4 Topological Polar Surface Area 147
Heavy Atom Count 34 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
16961
ChEBI ID
CHEBI:4462
CAS Number
2392-39-4
TTD Drug ID
D0NA8U
Formula
C22H28FNa2O8P
Canonical SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C.[Na+].[Na+]
InChI
1S/C22H30FO8P.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;/q;2*+1/p-2/t12-,15+,16+,17+,19+,20+,21+,22+;;/m1../s1
InChIKey
PLCQGRYPOISRTQ-FCJDYXGNSA-L
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
11-dehydrodexamethasone DM000801 N. A. Reduction - Reduction 1 [2] , [4]
6alpha-hydroxydexamethasone DM000803
10386732
Oxidation - Hydroxylation 1 [5]
6beta-hydroxydexamethasone DM000804
63050
Oxidation - Hydroxylation 1 [5]
Dexamethasone DM000802
5743
Unclear 2 [2] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000790 Dexamethasone sodium phosphate 11-dehydrodexamethasone Reduction - Reduction HSD11B2 [2], [4]
MR000791 Dexamethasone sodium phosphate 6alpha-hydroxydexamethasone Oxidation - Hydroxylation CYP3A4 [5]
MR000792 Dexamethasone sodium phosphate 6beta-hydroxydexamethasone Oxidation - Hydroxylation CYP3A4 [5]
MR000789 11-dehydrodexamethasone Dexamethasone Unclear HSD11B1 [2], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1) DME0199 Homo sapiens
DHI1_HUMAN
1.1.1.146
[2]
Corticosteroid 11-beta-dehydrogenase 2 (HSD11B2) DME0419 Homo sapiens
DHI2_HUMAN
1.1.1.B40
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[3]
References
1 Dexamethasone Sodium Phosphate was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolism of dexamethasone in the human kidney: nicotinamide adenine dinucleotide-dependent 11beta-reduction J Clin Endocrinol Metab. 1997 May;82(5):1598-602. doi: 10.1210/jcem.82.5.3936.
3 Identification of drugs inhibiting the in vitro metabolism of tacrolimus by human liver microsomes. Br J Clin Pharmacol. 1996 Mar;41(3):187-90.
4 Metabolism of synthetic corticosteroids by 11 beta-hydroxysteroid-dehydrogenases in man Steroids. 1998 May-Jun;63(5-6):271-7. doi: 10.1016/s0039-128x(98)00039-7.
5 Dexamethasone metabolism in vitro: species differences J Steroid Biochem Mol Biol. 1997 Jul;62(4):345-52. doi: 10.1016/s0960-0760(97)00038-1.

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