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

General Information of Drug (ID: DMV5RZM)

• Drug Name: N-dodecylgallate Drug Info
• Synonyms: Dodecyl gallate; Lauryl gallate; 1166-52-5; Dodecyl 3,4,5-trihydroxybenzoate; Nipagallin LA; Progallin LA; Gallic acid, dodecyl ester; Gallic acid, lauryl ester; n-Dodecyl gallate; n-dodecylgallate; BENZOIC ACID, 3,4,5-TRIHYDROXY-, DODECYL ESTER; Gallic Acid Dodecyl Ester; Lauryl 3,4,5-trihydroxybenzoate; antioxidant E 312; E-312 antioxidant; E 312 antioxidant; Dodecylester kyseliny gallove; antioxidant E-312; NSC 133463; CCRIS 5568; GALLIC ACID LAURYL ESTER; UNII-45612DY463; EINECS 214-620-6; Dodecylester kyseliny gallove [Czech

Indication

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

• Cross-matching ID:
  PubChem CID: 14425
  CAS Number: CAS 1166-52-5
  TTD Drug ID: DMV5RZM

Molecule-Related Drug Atlas

Drug(s) Targeting Squalene monooxygenase (SQLE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Naftifine	DMHVBG1	Dermatomycosis	EA60	Approved	[4]
Tolnaftate	DM28MU7	Dermatophytosis	1F28.2	Approved	[5]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[1]
FR-194738	DMNACIV	Hypercholesterolaemia	5C80.0	Terminated	[6]
SDZ-87-469	DMBY6CQ	Coronary artery disease	BA80	Terminated	[5]
NB-598	DMJVTQN	N. A.	N. A.	Terminated	[7]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[1]
1,2,3,4,6-penta-O-galloyl-beta-D-glucose	DMTK650	Discovery agent	N.A.	Investigative	[1]
Pedunculagin	DMKLRCX	Discovery agent	N.A.	Investigative	[1]
CORILAGIN	DMAC698	Discovery agent	N.A.	Investigative	[1]

Drug(s) Affected By Phorbol-12-myristate-13-acetate-induced protein 1 (PMAIP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[8]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[9]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[10]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[11]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[12]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[13]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[14]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[15]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[17]

Drug(s) Affected By Neurogenic locus notch homolog protein 3 (NOTCH3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Selenium	DM25CGV	N. A.	N. A.	Approved	[18]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[19]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[3]
Enzalutamide	DMGL19D	Prostate cancer	2C82.0	Approved	[20]
Zoledronate	DMIXC7G	Adenocarcinoma	2D40	Approved	[21]
Temozolomide	DMKECZD	Adenocarcinoma	2D40	Approved	[22]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[23]
Tetracycline	DMZA017	Acne vulgaris	ED80	Approved	[24]
(+)-JQ1	DM1CZSJ	Testicular cancer	2C80	Phase 1	[25]
Benzo(a)pyrene	DMN7J43	N. A.	N. A.	Phase 1	[26]

Drug(s) Affected By Interleukin-8 (CXCL8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[27]
Nicotine	DMWX5CO	Lung cancer	2C25.0	Approved	[28]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[29]
Pantothenic acid	DM091H2	Vitamin deficiency	5B55-5B71	Approved	[30]
Mechlorethamine	DM0CVXA	Chronic myelogenous leukaemia	2A20.0	Approved	[31]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[32]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[33]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[34]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[35]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[33]

Drug(s) Affected By DnaJ homolog subfamily B member 4 (DNAJB4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[8]
Selenium	DM25CGV	N. A.	N. A.	Approved	[18]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[13]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[36]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[37]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[17]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[38]
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[2]
Thalidomide	DM70BU5	Adult T-cell leukemia/lymphoma		Approved	[39]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[8]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Squalene monooxygenase (SQLE)	TTE14XG	ERG1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
DnaJ homolog subfamily B member 4 (DNAJB4)	OTUD01BK	DNJB4_HUMAN	Gene/Protein Processing	[2]
Interleukin-8 (CXCL8)	OTS7T5VH	IL8_HUMAN	Gene/Protein Processing	[2]
Neurogenic locus notch homolog protein 3 (NOTCH3)	OTMVVA7F	NOTC3_HUMAN	Gene/Protein Processing	[3]
Phorbol-12-myristate-13-acetate-induced protein 1 (PMAIP1)	OTXEE550	APR_HUMAN	Gene/Protein Processing	[3]

References

• [1] Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. J Nat Prod. 2001 Aug;64(8):1010-4.
• [2] An in vitro skin sensitization assay termed EpiSensA for broad sets of chemicals including lipophilic chemicals and pre/pro-haptens. Toxicol In Vitro. 2017 Apr;40:11-25. doi: 10.1016/j.tiv.2016.12.005. Epub 2016 Dec 10.
• [3] Prediction of the contact sensitizing potential of chemicals using analysis of gene expression changes in human THP-1 monocytes. Toxicol Lett. 2010 Nov 10;199(1):51-9.
• [4] Characterization of squalene epoxidase activity from the dermatophyte Trichophyton rubrum and its inhibition by terbinafine and other antimycotic agents. Antimicrob Agents Chemother. 1996 Feb;40(2):443-7.
• [5] Effects of squalene epoxidase inhibitors on Candida albicans. Antimicrob Agents Chemother. 1992 Aug;36(8):1779-81.
• [6] Synthesis and biological activity of a novel squalene epoxidase inhibitor, FR194738. Bioorg Med Chem Lett. 2004 Feb 9;14(3):633-7.
• [7] Squalene epoxidase as hypocholesterolemic drug target revisited. Prog Lipid Res. 2003 Jan;42(1):37-50.
• [8] Inhibiting Heat Shock Proteins Can Potentiate the Cytotoxic Effect of Cannabidiol in Human Glioma Cells. Anticancer Res. 2015 Nov;35(11):5827-37.
• [9] Time series analysis of oxidative stress response patterns in HepG2: a toxicogenomics approach. Toxicology. 2013 Apr 5;306:24-34.
• [10] Apoptotic signaling pathways induced by nitric oxide in human lymphoblastoid cells expressing wild-type or mutant p53. Cancer Res. 2004 May 1;64(9):3022-9. doi: 10.1158/0008-5472.can-03-1880.
• [11] Methotrexate induces apoptosis through p53/p21-dependent pathway and increases E-cadherin expression through downregulation of HDAC/EZH2. Biochem Pharmacol. 2011 Feb 15;81(4):510-7. doi: 10.1016/j.bcp.2010.11.014. Epub 2010 Nov 27.
• [12] Statin-triggered cell death in primary human lung mesenchymal cells involves p53-PUMA and release of Smac and Omi but not cytochrome c. Biochim Biophys Acta. 2010 Apr;1803(4):452-67. doi: 10.1016/j.bbamcr.2009.12.005. Epub 2010 Jan 4.
• [13] 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.
• [14] Adipogenic Effects and Gene Expression Profiling of Firemaster? 550 Components in Human Primary Preadipocytes. Environ Health Perspect. 2017 Sep 14;125(9):097013. doi: 10.1289/EHP1318.
• [15] D-Penicillamine targets metastatic melanoma cells with induction of the unfolded protein response (UPR) and Noxa (PMAIP1)-dependent mitochondrial apoptosis. Apoptosis. 2012 Oct;17(10):1079-94.
• [16] Comparison of the gene expression profiles of monocytic versus granulocytic lineages of HL-60 leukemia cell differentiation by DNA microarray analysis. Life Sci. 2003 Aug 15;73(13):1705-19. doi: 10.1016/s0024-3205(03)00515-0.
• [17] Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.
• [18] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [19] THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
• [20] NOTCH signaling is activated in and contributes to resistance in enzalutamide-resistant prostate cancer cells. J Biol Chem. 2019 May 24;294(21):8543-8554. doi: 10.1074/jbc.RA118.006983. Epub 2019 Apr 2.
• [21] Interleukin-19 as a translational indicator of renal injury. Arch Toxicol. 2015 Jan;89(1):101-6.
• [22] Temozolomide induces activation of Wnt/-catenin signaling in glioma cells via PI3K/Akt pathway: implications in glioma therapy. Cell Biol Toxicol. 2020 Jun;36(3):273-278. doi: 10.1007/s10565-019-09502-7. Epub 2019 Nov 22.
• [23] Activation of AIFM2 enhances apoptosis of human lung cancer cells undergoing toxicological stress. Toxicol Lett. 2016 Sep 6;258:227-236.
• [24] Effects of residual levels of tetracycline on the barrier functions of human intestinal epithelial cells. Food Chem Toxicol. 2017 Nov;109(Pt 1):253-263. doi: 10.1016/j.fct.2017.09.004. Epub 2017 Sep 4.
• [25] CCAT1 is an enhancer-templated RNA that predicts BET sensitivity in colorectal cancer. J Clin Invest. 2016 Feb;126(2):639-52.
• [26] Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.
• [27] Monomeric and oligomeric flavanols maintain the endogenous glucocorticoid response in human macrophages in pro-oxidant conditions in vitro. Chem Biol Interact. 2018 Aug 1;291:237-244.
• [28] Nicotine up-regulates IL-8 expression in human gingival epithelial cells following stimulation with IL-1 or P. gingivalis lipopolysaccharide via nicotinic acetylcholine receptor signalling. Arch Oral Biol. 2012 May;57(5):483-90. doi: 10.1016/j.archoralbio.2011.10.007. Epub 2011 Nov 25.
• [29] Ca(2+) Signaling and IL-8 Secretion in Human Testicular Peritubular Cells Involve the Cation Channel TRPV2. Int J Mol Sci. 2018 Sep 19;19(9):2829. doi: 10.3390/ijms19092829.
• [30] Calcium pantothenate modulates gene expression in proliferating human dermal fibroblasts. Exp Dermatol. 2009 Nov;18(11):969-78. doi: 10.1111/j.1600-0625.2009.00884.x. Epub 2009 Apr 8.
• [31] Nitrogen mustard prevents transport of Fra-1 into the nucleus to promote c-Fos- and FosB-dependent IL-8 induction in injured mouse epidermis. Toxicol Lett. 2020 Feb 1;319:256-263. doi: 10.1016/j.toxlet.2019.10.006. Epub 2019 Oct 19.
• [32] ERE-independent ERalpha target genes differentially expressed in human breast tumors. Mol Cell Endocrinol. 2005 Dec 21;245(1-2):53-9. doi: 10.1016/j.mce.2005.10.003. Epub 2005 Nov 17.
• [33] An in vitro coculture system of human peripheral blood mononuclear cells with hepatocellular carcinoma-derived cells for predicting drug-induced liver injury. Arch Toxicol. 2021 Jan;95(1):149-168. doi: 10.1007/s00204-020-02882-4. Epub 2020 Aug 20.
• [34] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [35] Nitric oxide synthase inhibitors attenuate ozone-induced airway inflammation in guinea pigs. Possible role of interleukin-8. Am J Respir Crit Care Med. 2000 Jan;161(1):249-56. doi: 10.1164/ajrccm.161.1.9804096.
• [36] Increased sensitivity for troglitazone-induced cytotoxicity using a human in vitro co-culture model. Toxicol In Vitro. 2009 Oct;23(7):1387-95.
• [37] Transcriptome-based functional classifiers for direct immunotoxicity. Arch Toxicol. 2014 Mar;88(3):673-89.
• [38] Arsenic suppresses gene expression in promyelocytic leukemia cells partly through Sp1 oxidation. Blood. 2005 Jul 1;106(1):304-10.
• [39] Polyunsaturated fatty acids synergize with lipid droplet binding thalidomide analogs to induce oxidative stress in cancer cells. Lipids Health Dis. 2010 Jun 2;9:56. doi: 10.1186/1476-511X-9-56.