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

General Information of Drug (ID: DME50RZ)

• Drug Name: 2-(benzyloxy)naphthalene Drug Info
• Synonyms: Benzyl 2-naphthyl ether; 613-62-7; 2-(benzyloxy)naphthalene; 2-Benzyloxynaphthalene; Naphthalene, 2-(phenylmethoxy)-; 2-(phenylmethoxy)naphthalene; 2-Benzyloxy-naphthalene; 2-phenylmethoxynaphthalene; CHEMBL146439; Q-200695; 2-(Phenylmethoxy)-naphthalene; Benzyl2-naphthylether; 2-Phenylmethoxy naphthalenen; b-naphthylbenzyl ether; ss-Naphtholbenzylaether; benzyl-2-naphthylether; ACMC-209mru; AI3-00945; AC1L3VTE; beta-naphthyl benzyl ether; EC 405-490-3; SCHEMBL51460; KSC493E6R; CTK3J3268; DTXSID80210201; MolPort-002-476-516

Indication

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

• Cross-matching ID:
  PubChem CID: 123080
  CAS Number: CAS 613-62-7
  TTD Drug ID: DME50RZ

Molecule-Related Drug Atlas

Drug(s) Targeting LOX-5 messenger RNA (ALOX5 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
TEBUFELONE	DMMUE8P	Pain	MG30-MG3Z	Discontinued in Phase 2	[3]
ZD-2138	DMVFCX7	Asthma	CA23	Discontinued in Phase 2	[4]
BW A4C	DMNUMDG	Arthritis	FA20	Terminated	[5]
KAEMPFEROL	DMHEMUB	Discovery agent	N.A.	Investigative	[6]
2,4'-Dimethoxy-5,3'-di-(2-propenyl)-biphenyl	DMWNJ84	Discovery agent	N.A.	Investigative	[7]
METHYLHONOKIOL	DM9YE6K	Discovery agent	N.A.	Investigative	[7]
HONOKIOL	DMJWT3X	Discovery agent	N.A.	Investigative	[7]
PUUPEHEDIONE	DMF28IU	Discovery agent	N.A.	Investigative	[8]
PUUPEHENONE	DMF3BCK	Discovery agent	N.A.	Investigative	[8]
Isojaspic acid	DMHTBDN	Discovery agent	N.A.	Investigative	[8]

Drug(s) Affected By Nuclear receptor subfamily 1 group I member 3 (NR1I3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[9]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[10]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[11]
Artemether	DM48QOT	Malaria	1F40-1F45	Approved	[12]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[13]
Nefazodone	DM4ZS8M	Major depressive disorder	6A70.3	Approved	[14]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[15]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[2]
Leflunomide	DMR8ONJ	Arthritis	FA20	Approved	[16]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
LOX-5 messenger RNA (ALOX5 mRNA)	TTSJ6Q4	LOX5_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Nuclear receptor subfamily 1 group I member 3 (NR1I3)	OTS3SGH7	NR1I3_HUMAN	Gene/Protein Processing	[2]

References

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• [2] Agonistic effects of diverse xenobiotics on the constitutive androstane receptor as detected in a recombinant yeast-cell assay. Toxicol In Vitro. 2018 Feb;46:335-349. doi: 10.1016/j.tiv.2017.09.014. Epub 2017 Sep 18.
• [3] New cyclooxygenase-2/5-lipoxygenase inhibitors. 3. 7-tert-butyl-2, 3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflam... J Med Chem. 1998 Aug 27;41(18):3515-29.
• [4] Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines. Bioorg Med Chem. 2010 Jun 1;18(11):3910-24.
• [5] Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid. J Med Chem. 2008 Sep 11;51(17):5449-53.
• [6] Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti. J Nat Prod. 2007 May;70(5):859-62.
• [7] Design and synthesis of ten biphenyl-neolignan derivatives and their in vitro inhibitory potency against cyclooxygenase-1/2 activity and 5-lipoxyge... Bioorg Med Chem. 2009 Jul 1;17(13):4459-65.
• [8] Using enzyme assays to evaluate the structure and bioactivity of sponge-derived meroterpenes. J Nat Prod. 2009 Oct;72(10):1857-63.
• [9] Identification of HMG-CoA reductase inhibitors as activators for human, mouse and rat constitutive androstane receptor. Drug Metab Dispos. 2005 Jul;33(7):924-9.
• [10] Bioactive terpenoids and flavonoids from Ginkgo biloba extract induce the expression of hepatic drug-metabolizing enzymes through pregnane X receptor, constitutive androstane receptor, and aryl hydrocarbon receptor-mediated pathways. Pharm Res. 2009 Apr;26(4):872-82.
• [11] Species-specific toxicity of diclofenac and troglitazone in primary human and rat hepatocytes. Chem Biol Interact. 2009 Apr 15;179(1):17-24.
• [12] Fetal bovine serum and human constitutive androstane receptor: evidence for activation of the SV23 splice variant by artemisinin, artemether, and arteether in a serum-free cell culture system. Toxicol Appl Pharmacol. 2014 Jun 1;277(2):221-30. doi: 10.1016/j.taap.2014.03.023. Epub 2014 Apr 12.
• [13] Constitutive androstane/active receptor is a target of retinoic acid receptor in humans. Biochem Pharmacol. 2010 Jul 1;80(1):129-35. doi: 10.1016/j.bcp.2010.02.023. Epub 2010 Mar 6.
• [14] Robustness testing and optimization of an adverse outcome pathway on cholestatic liver injury. Arch Toxicol. 2020 Apr;94(4):1151-1172. doi: 10.1007/s00204-020-02691-9. Epub 2020 Mar 10.
• [15] Expression and inducibility of cytochrome P450s (CYP1A1, 2B6, 2E1, 3A4) in human cord blood CD34(+) stem cell-derived differentiating neuronal cells. Toxicol Sci. 2012 Oct;129(2):392-410.
• [16] Teriflunomide is an indirect human constitutive androstane receptor (CAR) activator interacting with epidermal growth factor (EGF) signaling. Front Pharmacol. 2018 Oct 11;9:993.
• [17] Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.