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

General Information of Drug (ID: DMA5Q4T)

• Drug Name: 2-methoxy-1,4-naphthoquinone Drug Info
• Synonyms: 2-Methoxy-1,4-naphthoquinone; 2348-82-5; 2-Methoxynaphthoquinone; 2-methoxynaphthalene-1,4-dione; 2-Methoxy-p-naphthoquinone; 1,4-Naphthalenedione, 2-methoxy-; 1,4-NAPHTHOQUINONE, 2-METHOXY-; UNII-39020BUT1D; 2-Methoxy-1,4-naphthalenedione; NSC 31530; AI3-17893; CHEMBL106562; 2-Methoxy-[1,4]naphthoquinone; CHEBI:69522; OBGBGHKYJAOXRR-UHFFFAOYSA-N; 39020BUT1D; 2-methoxy-1,4-dihydronaphthalene-1,4-dione; ACMC-20ans6; AC1L28UU; MLS002472995; 2-methoxy-1,4-napthoquinone; SCHEMBL571061; AC1Q483I; DTXSID1062338; CTK4F1565

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 16871
  ChEBI ID: CHEBI:69522
  CAS Number: CAS 2348-82-5
  TTD Drug ID: DMA5Q4T

Molecule-Related Drug Atlas

Drug(s) Targeting Indoleamine 2,3-dioxygenase 1 (IDO1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
L-Tryptophan	DMIBH7M	Depression	6A70-6A7Z	Approved	[3]
Avastin+/-Tarceva	DMA86FL	Non-small-cell lung cancer	2C25.Y	Phase 3	[1]
BMS-986205	DM3MAYQ	Melanoma	2C30	Phase 3	[4]
INCB24360	DMIJGT9	Urothelial carcinoma	2C92.0	Phase 3	[5]
NLG8189	DM0798Z	Melanoma	2C30	Phase 2/3	[4]
DN1406131	DMQFX8R	Solid tumour/cancer	2A00-2F9Z	Phase 1	[6]
HTI-1090	DMI4TEC	Solid tumour/cancer	2A00-2F9Z	Phase 1	[7]
KHK2455	DMLSUQ8	Solid tumour/cancer	2A00-2F9Z	Phase 1	[4]
LY3381916	DMONZ1L	Solid tumour/cancer	2A00-2F9Z	Phase 1	[4]
PF-06840003	DMOX6EJ	Glioma	2A00.0	Phase 1	[8]

Drug(s) Affected By Matrix metalloproteinase-9 (MMP9)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[9]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[10]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[11]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[12]
Selenium	DM25CGV	N. A.	N. A.	Approved	[13]
Pentosan Polysulfate	DM2HRKE	Interstitial cystitis	GC00.3	Approved	[14]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[15]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
Dactinomycin	DM2YGNW	Adult kidney Wilms tumor		Approved	[17]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[18]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Matrix metalloproteinase-9 (MMP9)	OTB2QDAV	MMP9_HUMAN	Gene/Protein Processing	[2]

References

• [1] Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors. J Med Chem. 2008 Mar 27;51(6):1706-18.
• [2] 2-Methoxy-1,4-Naphthoquinone (MNQ) suppresses the invasion and migration of a human metastatic breast cancer cell line (MDA-MB-231). Toxicol In Vitro. 2014 Apr;28(3):335-9. doi: 10.1016/j.tiv.2013.11.008. Epub 2013 Nov 28.
• [3] Interactions between nitric oxide and indoleamine 2,3-dioxygenase. Biochemistry. 2006 Jul 18;45(28):8527-38.
• [4] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [5] Incyte. Product Development Pipeline.
• [6] ClinicalTrials.gov (NCT03641794) Indoleamine 2,3-Dioxygenase (IDO) Inhibitor in Healthy Volunteers. U.S. National Institutes of Health.
• [7] Discovery of cyanopyridine scaffold as novel indoleamine-2,3-dioxygenase 1 (IDO1) inhibitors through virtual screening and preliminary hit optimisation. J Enzyme Inhib Med Chem. 2019 Dec;34(1):250-263.
• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Cannabidiol Effectively Promoted Cell Death in Bladder Cancer and the Improved Intravesical Adhesion Drugs Delivery Strategy Could Be Better Used for Treatment. Pharmaceutics. 2021 Sep 7;13(9):1415. doi: 10.3390/pharmaceutics13091415.
• [10] Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
• [11] Frankincense myrrh attenuates hepatocellular carcinoma by regulating tumor blood vessel development through multiple epidermal growth factor receptor-mediated signaling pathways. World J Gastrointest Oncol. 2022 Feb 15;14(2):450-477. doi: 10.4251/wjgo.v14.i2.450.
• [12] Oxidative Stress Alters miRNA and Gene Expression Profiles in Villous First Trimester Trophoblasts. Biomed Res Int. 2015;2015:257090. doi: 10.1155/2015/257090. Epub 2015 Aug 3.
• [13] Inhibition of invasion and induction of apoptosis by selenium in human malignant brain tumour cells in vitro. Int J Oncol. 2007 May;30(5):1263-71.
• [14] Pentosan polysulfate decreases proliferation and extracellular matrix deposition by vascular smooth muscle cells isolated from failed hemodialysis access grafts. Clin Nephrol. 2000 Aug;54(2):121-7.
• [15] Investigation of molecular mechanisms underlying the antiproliferative effects of colchicine against PC3 prostate cancer cells. Toxicol In Vitro. 2021 Jun;73:105138. doi: 10.1016/j.tiv.2021.105138. Epub 2021 Mar 6.
• [16] Peripheral blood expression of nuclear factor-kappab-regulated genes is associated with rheumatoid arthritis disease activity and responds differentially to anti-tumor necrosis factor-alpha versus methotrexate. J Rheumatol. 2007 Sep;34(9):1817-22. Epub 2007 Aug 1.
• [17] Matrix metalloproteinase-9 is involved in chronic lymphocytic leukemia cell response to fludarabine and arsenic trioxide. PLoS One. 2014 Jun 23;9(6):e99993. doi: 10.1371/journal.pone.0099993. eCollection 2014.
• [18] Simvastatin, an HMG-CoA reductase inhibitor, reduced the expression of matrix metalloproteinase-9 (Gelatinase B) in osteoblastic cells and HT1080 fibrosarcoma cells. J Pharmacol Sci. 2004 Apr;94(4):403-9. doi: 10.1254/jphs.94.403.