General Information of Drug (ID: DMRLXAI)

Drug Name
ED-71 Drug Info
Synonyms
Edirol; Eldecalcitol; (5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol; 104121-92-8; 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)cholecalciferol; 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3; 2-(3-Hydroxypropoxy)-1,25-dihydroxyvitamin D3; ED 71; ED-71; I2JP8UE90H; UNII-I2JP8UE90H
Cross-matching ID
PubChem CID
6918141
ChEBI ID
CHEBI:73927
CAS Number
CAS 104121-92-8
TTD Drug ID
DMRLXAI
INTEDE Drug ID
DR0562

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DME
DOT
Drug Status:
Approved Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Bexarotene DMOBIKY Cutaneous T-cell lymphoma 2B01 Approved [3]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [4]
Selenium DM25CGV N. A. N. A. Approved [5]
obeticholic acid DM3Q1SM Primary biliary cholangitis DB96.1 Approved [6]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [7]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [8]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [9]
Acitretin DM8BKU9 Psoriasis vulgaris EA90 Approved [10]
Ibuprofen DM8VCBE Dysmenorrhea GA34.3 Approved [11]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [12]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [13]
Calcidiol DMN4CV5 Hypophosphatemia Approved [14]
Calcipotriol DM03CP7 Psoriasis EA90 Approved [15]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [16]
Quercetin DM3NC4M Obesity 5B81 Approved [17]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [18]
Rifampicin DM5DSFZ Non-insulin dependent diabetes 5A11 Approved [19]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [20]
Liothyronine DM6IR3P Congenital hypothyroidism Approved [21]
Testosterone DM7HUNW Hot flushes GA30 Approved [22]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Cytochrome P450 3A4 (CYP3A4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Eplerenone DMF0NQR Heart failure BD10-BD13 Approved [23]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [24]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [25]
Voriconazole DMAOL2S Aspergillosis 1F20 Approved [26]
Proguanil DMBL79I Malaria 1F40-1F45 Approved [27]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [27]
Loratadine DMF3AN7 Allergy 4A80-4A85 Approved [28]
Nelfinavir mesylate DMFX6G8 N. A. N. A. Approved [29]
Capsaicin DMGMF6V Back pain ME84.Z Approved [30]
Axitinib DMGVH6N Renal cell carcinoma 2C90 Approved [31]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Methylsterol monooxygenase 1 (MSMO1) Main DME DE5FUD0 MSMO1_HUMAN Substrate [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial (CYP24A1) OTG2T749 CP24A_HUMAN Regulation of Drug Effects [1]
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Regulation of Drug Effects [1]
Retinoic acid receptor RXR-alpha (RXRA) OTP1TBDM RXRA_HUMAN Protein Interaction/Cellular Processes [2]
Vitamin D3 receptor OTFC7K35 VDR_HUMAN Protein Interaction/Cellular Processes [1]

References

1 Human hepatic metabolism of the anti-osteoporosis drug eldecalcitol involves sterol C4-methyl oxidase. Pharmacol Res Perspect. 2015 Mar;3(2):e00120.
2 Hydrogen/deuterium exchange reveals distinct agonist/partial agonist receptor dynamics within vitamin D receptor/retinoid X receptor heterodimer. Structure. 2010 Oct 13;18(10):1332-41. doi: 10.1016/j.str.2010.07.007.
3 Phthalates efficiently bind to human peroxisome proliferator activated receptor and retinoid X receptor , , subtypes: an in silico approach. J Appl Toxicol. 2014 Jul;34(7):754-65. doi: 10.1002/jat.2902. Epub 2013 Jul 11.
4 Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
5 Cross-species global and subset gene expression profiling identifies genes involved in prostate cancer response to selenium. BMC Genomics. 2004 Aug 20;5(1):58. doi: 10.1186/1471-2164-5-58.
6 Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
7 Identification and characterization of the human retinoid X receptor alpha gene promoter. Gene. 2006 May 10;372:118-27. doi: 10.1016/j.gene.2005.12.027. Epub 2006 Mar 6.
8 Chemical genomics profiling of environmental chemical modulation of human nuclear receptors. Environ Health Perspect. 2011 Aug;119(8):1142-8. doi: 10.1289/ehp.1002952. Epub 2011 May 4.
9 Arsenic trioxide and cisplatin synergism increase cytotoxicity in human ovarian cancer cells: therapeutic potential for ovarian cancer. Cancer Sci. 2009 Dec;100(12):2459-64.
10 Limited Chemical Structural Diversity Found to Modulate Thyroid Hormone Receptor in the Tox21 Chemical Library. Environ Health Perspect. 2019 Sep;127(9):97009. doi: 10.1289/EHP5314. Epub 2019 Sep 30.
11 Transcriptomics hit the target: monitoring of ligand-activated and stress response pathways for chemical testing. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):7-18.
12 The functional consequences of cross-talk between the vitamin D receptor and ERK signaling pathways are cell-specific. J Biol Chem. 2004 Nov 5;279(45):47298-310. doi: 10.1074/jbc.M404101200. Epub 2004 Aug 25.
13 DNA microarray analysis of vitamin D-induced gene expression in a human colon carcinoma cell line. Physiol Genomics. 2004 Apr 13;17(2):122-9. doi: 10.1152/physiolgenomics.00002.2003.
14 Retinoic acid via RARalpha inhibits the expression of 24-hydroxylase in human prostate stromal cells. Biochem Biophys Res Commun. 2005 Dec 30;338(4):1973-81. doi: 10.1016/j.bbrc.2005.10.178. Epub 2005 Nov 7.
15 Actions of Vitamin D3, analogs on human prostate cancer cell lines: comparison with 1,25-dihydroxyvitamin D3. Endocrinology. 1995 Jan;136(1):20-6.
16 Time series analysis of oxidative stress response patterns in HepG2: a toxicogenomics approach. Toxicology. 2013 Apr 5;306:24-34.
17 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
18 Effect of retinoic acid on gene expression in human conjunctival epithelium: secretory phospholipase A2 mediates retinoic acid induction of MUC16. Invest Ophthalmol Vis Sci. 2005 Nov;46(11):4050-61.
19 Possible involvement of pregnane X receptor-enhanced CYP24 expression in drug-induced osteomalacia. J Clin Invest. 2005 Jan;115(1):177-86.
20 19-Nor-1,25(OH)2D2 (a novel, noncalcemic vitamin D analogue), combined with arsenic trioxide, has potent antitumor activity against myeloid leukemia. Cancer Res. 2005 Mar 15;65(6):2488-97.
21 Similarities and differences between two modes of antagonism of the thyroid hormone receptor. ACS Chem Biol. 2011 Oct 21;6(10):1096-106.
22 Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
23 The relative role of CYP3A4 and CYP3A5 in eplerenone metabolism. Toxicol Lett. 2019 Oct 15;315:9-13.
24 Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol. Chem Biol Interact. 2014 May 25;215:62-8.
25 Retinoids activate the RXR/SXR-mediated pathway and induce the endogenous CYP3A4 activity in Huh7 human hepatoma cells. Toxicol Sci. 2006 Jul;92(1):51-60.
26 The novel azole R126638 is a selective inhibitor of ergosterol synthesis in Candida albicans, Trichophyton spp., and Microsporum canis. Antimicrob Agents Chemother. 2004 Sep;48(9):3272-8.
27 Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
28 Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5591-4.
29 Mechanism-based inactivation of CYP3A by HIV protease inhibitors. J Pharmacol Exp Ther. 2005 Feb;312(2):583-91.
30 Studies of the toxicological potential of capsinoids, XIII: inhibitory effects of capsaicin and capsinoids on cytochrome P450 3A4 in human liver microsomes. Int J Toxicol. 2010 Mar;29(2 Suppl):22S-6S.
31 Investigation of the effects of axitinib on the pharmacokinetics of loperamide and its main metabolite N-demethylated loperamide in rats by UPLC-MS/MS. Chem Biol Interact. 2019 Sep 1;310:108744. doi: 10.1016/j.cbi.2019.108744. Epub 2019 Jul 9.