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

General Information of Drug (ID: DR1757)
Drug Name
Doxercalciferol
Prodrug Info Doxercalciferol is the prodrug of 1,25-dihydroxyvitamin D3
Synonyms
Doxercalciferol; Doxercalciferol (INN); Doxercalciferol [INN]; Hectorol; TSA 840; Vitamin D2, 1alpha-Hydroxy-; 1-Hydroxyergocalciferol; 1-Hydroxyvitamin D2; 1-alpha-Hydroxyvitamin D2; 1-alpha-hydroxyergocalciferol; 1alpha-Hydroxyergocalciferol; 1alpha-OH-D2; 1alpha-hydroxyvitamin D2; 3DIZ9LF5Y9; 54573-75-0; BRN 4716774; CHEBI:4712; MFCD00871065; UNII-3DIZ9LF5Y9
Indication Hyperparathyroidism [ICD11: 5A51] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 412.6 Topological Polar Surface Area 40.5
Heavy Atom Count 30 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
5281107
PubChem SID
10410 ; 7848072 ; 8616516 ; 11528742 ; 14714977 ; 14757783 ; 14831187 ; 26759741 ; 39290018 ; 47721666 ; 50096685 ; 50140476 ; 53790000 ; 57358018 ; 71855033 ; 103770793 ; 109693717 ; 113854564 ; 126670553 ; 127324039 ; 127324040 ; 127324041 ; 134957119 ; 135079074 ; 135651481 ; 135698305 ; 137248797 ; 142560574 ; 143493351 ; 144206531 ; 152164533 ; 152238015 ; 152258777 ; 160647628 ; 162189015 ; 163687121 ; 164227093 ; 165238070 ; 175266149 ; 176264149 ; 184593516 ; 184812060 ; 210277996 ; 223439572 ; 223860398 ; 226660079 ; 251915651 ; 251917001 ; 252157093 ; 252160414
ChEBI ID
CHEBI:4712
CAS Number
54573-75-0
TTD Drug ID
D0G5CF
Formula
C28H44O2
Canonical SMILES
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
InChI
1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1
InChIKey
HKXBNHCUPKIYDM-CGMHZMFXSA-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
1,25-dihydroxyvitamin D3 DM001542
5280453
Unclear 1 [2] , [3]
1alpha,24-dihydroxyvitamin D2 DM006223
71300399
Unclear 1 [5]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006671 Doxercalciferol 1alpha,25-dihydroxyvitamin D? Unclear CYP2R1 [2], [3]
MR006672 Doxercalciferol 1alpha,24-dihydroxyvitamin D2 Unclear CYP27A1 [5]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Vitamin D 25-hydroxylase (CYP2R1) DME0100 Homo sapiens
CP2R1_HUMAN
1.14.14.24
[2] , [3]
Vitamin D(3) 25-hydroxylase (CYP27A1) DME0026 Homo sapiens
CP27A_HUMAN
1.14.15.15
[4]
References
1 Doxercalciferol was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Comparative effects of doxercalciferol (1-hydroxyvitamin D?) versus calcitriol (1,25-dihydroxyvitamin D?) on the expression of transporters and enzymes in the rat in vivo
3 Pharmacokinetics of doxercalciferol, a new vitamin D analogue that lowers parathyroid hormone
4 Efficacy and safety of oral doxercalciferol in the management of secondary hyperparathyroidism in chronic kidney disease stage 4. Indian J Nephrol. 2013 Jul;23(4):271-5.
5 DrugBank(Pharmacology-Metabolism):Doxercalciferol

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