Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMWQUC9)

• Drug Name: Vitamin D Drug Info
• 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
• Cross-matching ID:
  PubChem CID: 5280795
  ChEBI ID: CHEBI:28940
  CAS Number: CAS 67-97-0
  TTD Drug ID: DMWQUC9
  INTEDE Drug ID: DR1700

Molecule-Related Drug Atlas

Drug(s) Metabolized By Cytochrome P450 3A4 (CYP3A4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[7]
Progesterone	DMUY35B	Amenorrhea	GA20.0	Approved	[8]
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[9]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[10]
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[11]
Imatinib	DM7RJXL	Acute lymphoblastic leukaemia	2A85	Approved	[12]
Etoposide	DMNH3PG	Acute myelogenous leukaemia	2A41	Approved	[13]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[14]
Prasterone	DM67VKL	Chronic obstructive pulmonary disease	CA22	Approved	[8]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[15]

Drug(s) Metabolized By Vitamin D(3) 25-hydroxylase (CYP27A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Doxercalciferol	DM6FG1P	Chronic kidney disease	GB61	Approved	[16]
Alfacalcidol	DM1237M	Hyperparathyroidism	5A51	Phase 4	[17]
ANW-32821	DMMJOZD	N. A.	N. A.	Phase 2	[18]

Drug(s) Metabolized By Cytochrome P450 2J2 (CYP2J2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Riociguat	DMXBLMP	Chronic thromboembolic pulmonary hypertension		Approved	[19]
Rivaroxaban	DMQMBZ1	Deep vein thrombosis	BD71	Approved	[20]
Ergocalciferol	DMHO0AR	Hypoparathyroidism	5A50	Approved	[4]
Vorapaxar	DMA16BR	Myocardial infarction	BA41-BA43	Approved	[21]
Alfacalcidol	DM1237M	Hyperparathyroidism	5A51	Phase 4	[4]
Ebastine	DMH21D9	N. A.	N. A.	Phase 4	[22]
MANIDIPINE	DMJPGUA	N. A.	N. A.	Phase 3	[23]
Carebastine	DMUVMWZ	Ocular allergy	4A81	Phase 3	[24]
Eperisone	DM1SMAI	Muscle spasm	MB47.3	Phase 3	[25]
H3B-6545	DMIFCY2	Breast cancer	2C60-2C65	Phase 1/2	[26]

Drug(s) Metabolized By Cholesterol desmolase (CYP11A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ergocalciferol	DMHO0AR	Hypoparathyroidism	5A50	Approved	[27]
ANW-32821	DMMJOZD	N. A.	N. A.	Phase 2	[18]

Drug(s) Metabolized By Vitamin D 25-hydroxylase (CYP2R1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ergocalciferol	DMHO0AR	Hypoparathyroidism	5A50	Approved	[28]

Drug(s) Metabolized By Cytochrome P450 124 (cyp124)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Provitamin D3	DM43ABN	N. A.	N. A.	Investigative	[6]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Substrate	[1]
Cholesterol desmolase (CYP11A1)	DE98XPV	CP11A_HUMAN	Substrate	[2]
Vitamin D(3) 25-hydroxylase (CYP27A1)	DEBS639	CP27A_HUMAN	Substrate	[3]
Cytochrome P450 2J2 (CYP2J2)	DERSX5P	CP2J2_HUMAN	Substrate	[4]
Vitamin D 25-hydroxylase (CYP2R1)	DEBIHM3	CP2R1_HUMAN	Substrate	[5]
Cytochrome P450 124 (cyp124)	DE28NZ9	CP124_MYCTU	Substrate	[6]

References

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• [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] Chemoprevention of prostate cancer by cholecalciferol (vitamin D3): 25-hydroxylase (CYP27A1) in human prostate epithelial cells. Clin Exp Metastasis. 2005;22(3):265-73.
• [4] Characterization of rat and human CYP2J enzymes as Vitamin D 25-hydroxylases. Steroids. 2006 Oct;71(10):849-56.
• [5] Placental vitamin D metabolism and its associations with circulating vitamin D metabolites in pregnant women. Am J Clin Nutr. 2017 Dec;106(6):1439-1448.
• [6] Identification of Mycobacterium tuberculosis enzyme involved in vitamin D and 7-dehydrocholesterol metabolism. J Steroid Biochem Mol Biol. 2017 May;169:202-209.
• [7] Expression levels and activation of a PXR variant are directly related to drug resistance in osteosarcoma cell lines. Cancer. 2007 Mar 1;109(5):957-65.
• [8] Contribution of human hepatic cytochrome P450 isoforms to regioselective hydroxylation of steroid hormones. Xenobiotica. 1998 Jun;28(6):539-47.
• [9] Comprehensive evaluation of tamoxifen sequential biotransformation by the human cytochrome P450 system in vitro: prominent roles for CYP3A and CYP2D6. J Pharmacol Exp Ther. 2004 Sep;310(3):1062-75.
• [10] Isoform-specific regulation of cytochromes P450 expression by estradiol and progesterone. Drug Metab Dispos. 2013 Feb;41(2):263-9.
• [11] Metabolic interactions between acetaminophen (paracetamol) and two flavonoids, luteolin and quercetin, through in-vitro inhibition studies. J Pharm Pharmacol. 2017 Dec;69(12):1762-1772.
• [12] Potent mechanism-based inhibition of CYP3A4 by imatinib explains its liability to interact with CYP3A4 substrates. Br J Pharmacol. 2012 Apr;165(8):2787-98.
• [13] Effects of morin on the pharmacokinetics of etoposide in rats. Biopharm Drug Dispos. 2007 Apr;28(3):151-6.
• [14] The metabolism of zidovudine by human liver microsomes in vitro: formation of 3'-amino-3'-deoxythymidine. Biochem Pharmacol. 1994 Jul 19;48(2):267-76.
• [15] Substrates, inducers, inhibitors and structure-activity relationships of human Cytochrome P450 2C9 and implications in drug development. Curr Med Chem. 2009;16(27):3480-675.
• [16] 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.
• [17] Kidney microsomal 25- and 1alpha-hydroxylase in vitamin D metabolism: catalytic properties, molecular cloning, cellular localization and expression during development. Biochim Biophys Acta. 2002 Feb 28;1580(2-3):133-44.
• [18] Cholesterol-metabolizing cytochromes P450. Drug Metab Dispos. 2006 Apr;34(4):513-20.
• [19] Riociguat (adempas): a novel agent for the treatment of pulmonary arterial hypertension and chronic thromboembolic pulmonary hypertension. P T. 2014 Nov;39(11):749-58.
• [20] Comparative efficacy and safety of the novel oral anticoagulants dabigatran, rivaroxaban and apixaban in preclinical and clinical development. Thromb Haemost. 2010 Mar;103(3):572-85.
• [21] Vorapaxar: the missing link in antiplatelet therapy! J Anaesthesiol Clin Pharmacol. 2017 Apr-Jun;33(2):269-270.
• [22] Identifying a selective substrate and inhibitor pair for the evaluation of CYP2J2 activity. Drug Metab Dispos. 2012 May;40(5):943-51.
• [23] Inhibitory effects of antihypertensive drugs on human cytochrome P450 2J2 activity: Potent inhibition by azelnidipine and manidipine. Chem Biol Interact. 2019 Jun 1;306:1-9.
• [24] Characterization of ebastine, hydroxyebastine, and carebastine metabolism by human liver microsomes and expressed cytochrome P450 enzymes: major roles for CYP2J2 and CYP3A. Drug Metab Dispos. 2006 Nov;34(11):1793-7.
• [25] Characterization of human cytochrome P450 enzymes involved in the biotransformation of eperisone. Xenobiotica. 2009 Jan;39(1):1-10.
• [26] Nonclinical pharmacokinetics and in vitro metabolism of H3B-6545, a novel selective ERalpha covalent antagonist (SERCA). Cancer Chemother Pharmacol. 2019 Jan;83(1):151-160.
• [27] Vitamin D: mechanisms of action and clinical applications. Endocrinol Metab Clin North Am. 2017 Dec;46(4):xvii-xviii.
• [28] CYP2R1 (vitamin D 25-hydroxylase) gene is associated with susceptibility to type 1 diabetes and vitamin D levels in Germans. Diabetes Metab Res Rev. 2007 Nov;23(8):631-6.