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

General Information of Drug (ID: DMQL0KF)

• Drug Name: Vanadate Drug Info
• Synonyms: Ammonium metavanadate; 7803-55-6; Ammonium vanadate(V); UNII-FL85PX638G; FL85PX638G; Ammonium metavanadate, ACS reagent; Ammoniummetavanadate; Ammonium metavanadate, 99.5%, for analysis; Ammonium metavanadate, 99.996%, (trace metal basis); Ammonium meta-Vanadate; Vanadate (VO31-), ammonium (1:1); AC1LANGP; ammonium vanadiumoylolate; H4NO3V; EC 232-261-3; azanium oxido(dioxo)vanadium; KS-00000WUM; UNTBPXHCXVWYOI-UHFFFAOYSA-O; MolPort-044-723-987; MolPort-003-925-733; MFCD00011430; AKOS030228605; AMMONIUM VANADATE (META), NH4VO3

Indication

Disease Entry	ICD 11	Status	REF
Psoriatic arthritis	FA21	Phase 3	[1]
Rheumatoid arthritis	FA20	Phase 3	[1]
Plaque psoriasis	EA90.0	Application submitted	[1]

• Cross-matching ID:
  PubChem CID: 516859
  CAS Number: CAS 7803-55-6
  TTD Drug ID: DMQL0KF

Molecule-Related Drug Atlas

Drug(s) Targeting Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Artemisinin	DMOY7W3	Malaria	1F40-1F45	Approved	[5]
Dihydroartemisinin	DMBXVMZ	Malaria	1F40-1F45	Approved	[5]
Piperaquine	DMT70RC	Malaria	1F40-1F45	Approved	[5]
Artemisinin SP	DMFETDK	Malaria	1F40-1F45	Approved	[5]
Artesunate	DMR27C8	Infection of P. falciparum	1F40	Approved	[5]
OZ277	DM1YB0R	Malaria	1F40-1F45	Approved	[5]
Pyronaridine	DMUWAM2	Malaria	1F40-1F45	Approved	[5]
THAPSIGARGIN	DMDMQIE	N. A.	N. A.	Preclinical	[6]
Cyclopiazonic acid	DMPJ08G	Discovery agent	N.A.	Investigative	[2]

Drug(s) Affected By NAD(P)H dehydrogenase 1 (NQO1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[7]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[8]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[9]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[10]
TECFIDERA	DM2OVDT	Multiple sclerosis	8A40	Approved	[11]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[12]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[13]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[14]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[15]
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[16]

Drug(s) Affected By Cytochrome P450 1A1 (CYP1A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Amodiaquine	DME4RA8	Malaria	1F40-1F45	Approved	[17]
Riluzole	DMECBWN	Amyotrophic lateral sclerosis	8B60.0	Approved	[18]
Flutamide	DMK0O7U	Prostate cancer	2C82.0	Approved	[19]
Menadione	DMSJDTY	Vitamin K deficiency	5B59	Approved	[20]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[21]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[22]
Ethacrynic acid	DM60QMR	Edema	MG29	Approved	[23]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[24]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[25]
Clofibrate	DMPC1J7	Dysbetalipoproteinemia	5C80.2	Approved	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A)	TTZVSJ2	NOUNIPROTAC	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Protein Interaction/Cellular Processes	[3]
NAD(P)H dehydrogenase 1 (NQO1)	OTZGGIVK	NQO1_HUMAN	Protein Interaction/Cellular Processes	[4]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [2] Expression and functional characterization of a Plasmodium falciparum Ca2+-ATPase (PfATP4) belonging to a subclass unique to apicomplexan organisms. J Biol Chem. 2001 Apr 6;276(14):10782-7.
• [3] Transcriptional and posttranscriptional regulation of CYP1A1 by vanadium in human hepatoma HepG2 cells. Cell Biol Toxicol. 2010 Oct;26(5):421-34. doi: 10.1007/s10565-010-9153-7. Epub 2010 Mar 11.
• [4] Modulation of NAD(P)H:quinone oxidoreductase by vanadium in human hepatoma HepG2 cells. Toxicol In Vitro. 2010 Sep;24(6):1554-61.
• [5] The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
• [6] Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase. Bioorg Med Chem. 2010 Aug 1;18(15):5634-46.
• [7] 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.
• [8] Functional cardiotoxicity assessment of cosmetic compounds using human-induced pluripotent stem cell-derived cardiomyocytes. Arch Toxicol. 2018 Jan;92(1):371-381.
• [9] Cannabidiol induces antioxidant pathways in keratinocytes by targeting BACH1. Redox Biol. 2020 Jan;28:101321. doi: 10.1016/j.redox.2019.101321. Epub 2019 Sep 5.
• [10] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [11] Enhanced cytotoxicity of bioreductive antitumor agents with dimethyl fumarate in human glioblastoma cells. Anticancer Drugs. 2005 Feb;16(2):167-74.
• [12] Growth-suppressive effect of non-steroidal anti-inflammatory drugs on 11 colon-cancer cell lines and fluorescence differential display of genes whose expression is influenced by sulindac. Int J Cancer. 2000 Dec 15;88(6):873-80. doi: 10.1002/1097-0215(20001215)88:6<873::aid-ijc6>3.0.co;2-b.
• [13] Simvastatin protects dopaminergic neurons against MPP+-induced oxidative stress and regulates the endogenous anti-oxidant system through ERK. Cell Physiol Biochem. 2018;51(4):1957-1968.
• [14] P450 3A-catalyzed O-dealkylation of lapatinib induces mitochondrial stress and activates Nrf2. Chem Res Toxicol. 2016 May 16;29(5):784-96.
• [15] Induction of human NAD(P)H:quinone oxidoreductase (NQO1) gene expression by the flavonol quercetin. Toxicol Lett. 2001 Feb 3;119(1):49-57.
• [16] Rofecoxib modulates multiple gene expression pathways in a clinical model of acute inflammatory pain. Pain. 2007 Mar;128(1-2):136-47.
• [17] Cytochrome P450 1A1/2 induction by antiparasitic drugs: dose-dependent increase in ethoxyresorufin O-deethylase activity and mRNA caused by quinine, primaquine and albendazole in HepG2 cells. Eur J Clin Pharmacol. 2002 Nov;58(8):537-42.
• [18] Association of CYP1A1 and CYP1B1 inhibition in in vitro assays with drug-induced liver injury. J Toxicol Sci. 2021;46(4):167-176. doi: 10.2131/jts.46.167.
• [19] Anti-androgenic effect of 6-formylindolo[3,2-b]carbazole (FICZ) in LNCaP cells is mediated by the aryl hydrocarbon-androgen receptors cross-talk. Steroids. 2020 Jan;153:108508. doi: 10.1016/j.steroids.2019.108508. Epub 2019 Oct 3.
• [20] Pharmacologic profiling of human and rat cytochrome P450 1A1 and 1A2 induction and competition. Arch Toxicol. 2008 Dec;82(12):909-21.
• [21] Effect of CYP1A1 gene polymorphisms on estrogen metabolism and bone density. J Bone Miner Res. 2005 Feb;20(2):232-9. doi: 10.1359/JBMR.041110. Epub 2004 Nov 16.
• [22] Increased sensitivity for troglitazone-induced cytotoxicity using a human in vitro co-culture model. Toxicol In Vitro. 2009 Oct;23(7):1387-95.
• [23] Isoform-specific induction of a human aldo-keto reductase by polycyclic aromatic hydrocarbons (PAHs), electrophiles, and oxidative stress: implications for the alternative pathway of PAH activation catalyzed by human dihydrodiol dehydrogenase. Cancer Res. 1999 Feb 1;59(3):607-14.
• [24] Gene expression changes in human small airway epithelial cells exposed to Delta9-tetrahydrocannabinol. Toxicol Lett. 2005 Aug 14;158(2):95-107.
• [25] The metallohormone cadmium modulates AhR-associated gene expression in the small intestine of rats similar to ethinyl-estradiol. Arch Toxicol. 2013 Apr;87(4):633-43.
• [26] Evidence for a new human CYP1A1 regulation pathway involving PPAR-alpha and 2 PPRE sites. Gastroenterology. 2004 Nov;127(5):1436-45.