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

General Information of Drug (ID: DR1700)
Drug Name
Vitamin D
Synonyms
Vigantol; Vigorsan; Vitamin D3; Vitinc Dan-Dee-3; cholecalciferol; vitamin d-3; (+)-Vitamin D3; Activated 7-dehydrocholesterol; Arachitol; Calciol; Cholecalciferol, D3; Cholecalciferolum; Colecalciferol; Colecalciferolo [DCIT]; Colecalciferolum; Colecalciferolum [INN-Latin]; Colecalcipherol; D3-Vicotrat; D3-Vigantol; Delsterol; Deparal; Duphafral D3 1000; Ebivit; FeraCol; NEO Dohyfral D3; Oleovitamin D3; Quintox; Rampage; Ricketon; Trivitan; VITAMIN D; Vi-De3; Vi-de-3-hydrosol; 1406-16-2; 67-97-0; 7-Dehydrocholestrol, activated;; MFCD00078131
Indication Hyperparathyroidism [ICD11: 5A51] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 384.6 Topological Polar Surface Area 20.2
Heavy Atom Count 28 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
5280795
ChEBI ID
CHEBI:28940
CAS Number
67-97-0
Formula
C27H44O
Canonical SMILES
CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
InChI
1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKey
QYSXJUFSXHHAJI-YRZJJWOYSA-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
25-hydroxyvitamin D3 DM020011
5283731
Oxidation - Hydrolyzationn 1 [6]
1alpha,25-dihydroxyvitamin D3 DM020012
5280453
Oxidation - Hydrolyzationn 2 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013243 Vitamin D 25-hydroxyvitamin D3 Oxidation - Hydrolyzationn CYP24A1 [6]
MR013244 25-hydroxyvitamin D3 1alpha,25-dihydroxyvitamin D3 Oxidation - Hydrolyzationn CYP24A1 [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cholesterol desmolase (CYP11A1) DME0099 Homo sapiens
CP11A_HUMAN
1.14.15.6
[2]
Cytochrome P450 124 (cyp124) DME1234 Mycobacterium tuberculosis
CP124_MYCTU
1.14.15.14
[3]
Cytochrome P450 2J2 (CYP2J2) DME0031 Homo sapiens
CP2J2_HUMAN
1.14.14.24
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[5]
Vitamin D(3) 24-hydroxylase (CYP24A1) DME0038 Homo sapiens
CP24A_HUMAN
1.14.15.16
[6]
Vitamin D(3) 25-hydroxylase (CYP27A1) DME0026 Homo sapiens
CP27A_HUMAN
1.14.15.15
[7]
⏷ Show the Full List of 6  DME(s)
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Cytochrome P450 2J2 (CYP2J2) DME0031 Km = 0.0077 microM
CP2J2_HUMAN
[4]
References
1 Vitamin D was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Metabolism of 1alpha-hydroxyvitamin D3 by cytochrome P450scc to biologically active 1alpha,20-dihydroxyvitamin D3. J Steroid Biochem Mol Biol. 2008 Dec;112(4-5):213-9.
3 Identification of Mycobacterium tuberculosis enzyme involved in vitamin D and 7-dehydrocholesterol metabolism. J Steroid Biochem Mol Biol. 2017 May;169:202-209.
4 Characterization of rat and human CYP2J enzymes as Vitamin D 25-hydroxylases. Steroids. 2006 Oct;71(10):849-56.
5 Interplay between vitamin D and the drug metabolizing enzyme CYP3A4. J Steroid Biochem Mol Biol. 2013 Jul;136:54-8.
6 Overview of general physiologic features and functions of vitamin D. Am J Clin Nutr. 2004 Dec;80(6 Suppl):1689S-96S.
7 Chemoprevention of prostate cancer by cholecalciferol (vitamin D3): 25-hydroxylase (CYP27A1) in human prostate epithelial cells. Clin Exp Metastasis. 2005;22(3):265-73.

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