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

General Information of Drug (ID: DM36JUD)

• Drug Name: 4-hexyl resorcinol Drug Info
• Synonyms: hexylresorcinol; 4-Hexylresorcinol; 4-hexylbenzene-1,3-diol; 136-77-6; Ascarinol; Antascarin; 4-Hexyl-1,3-benzenediol; Ascaricid; p-Hexylresorcinol; 4-n-Hexylresorcinol; Hidesol; Caprokol; Adrover; Oxana; Crystoids; Prensol; 4-Hexylresorcine; 1,3-Benzenediol, 4-hexyl-; Sucrets; Hexylresorcin; Gelovermin; Ascaryl; 4-Hexyl-1,3-dihydroxybenzene; 4-(1-Hexyl)resorcinol; Cystoids anthelmintic; 1,3-Dihydroxy-4-hexylbenzene; Worm-agen; Resorcinol, 4-hexyl-; Hexylresorzin; Mycoderm; 1,3-Dihydroxy-4-n-hexylbenzene; NCI-C55787

Indication

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

• Cross-matching ID:
  PubChem CID: 3610
  ChEBI ID: CHEBI:93749
  CAS Number: CAS 136-77-6
  TTD Drug ID: DM36JUD

Molecule-Related Drug Atlas

Drug(s) Targeting Tyrosinase (TYR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydroquinone	DM6AVR4	Melasma	ED60.1	Approved	[4]
Monobenzone	DMVJS2K	Vitiligo	ED63.0	Approved	[4]
Multi-epitope peptide melanoma vaccine	DMZPEHY	Melanoma	2C30	Phase 3	[5]
Melanoma vaccine	DMQEC6Z	Melanoma	2C30	Phase 3	[6]
Polynoma-1	DM3QDA6	Melanoma	2C30	Phase 2	[7]
MKC-1106-MT	DMXKOW6	Melanoma	2C30	Phase 2	[8]
Multi-epitope tyrosinase/gp100 vaccine	DMN68ZL	Melanoma	2C30	Phase 2	[9]
PMID29130358-Compound-Figure11(3)	DMSME2B	N. A.	N. A.	Patented	[10]
Benzothiazole analog 1	DMHXFCQ	Albinism	EC23.2	Patented	[11]
Monoamine derivative 2	DMAZ6DI	Albinism	EC23.2	Patented	[11]

Drug(s) Affected By Glutathione reductase, mitochondrial (GSR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[12]
Ketoprofen	DMRKXPT	Bursitis		Approved	[13]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[14]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[15]
Clavulanate	DM2FGRT	Bacteremia	1A73	Approved	[16]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[17]
obeticholic acid	DM3Q1SM	Primary biliary cholangitis	DB96.1	Approved	[18]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[20]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[21]

Drug(s) Affected By Catalase (CAT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[22]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[23]
Haloperidol	DM96SE0	Delirium		Approved	[13]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[14]
Selenium	DM25CGV	N. A.	N. A.	Approved	[24]
Methimazole	DM25FL8	Hyperthyroidism	5A02	Approved	[25]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[26]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[27]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[28]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[29]

Drug(s) Affected By Estrogen receptor (ESR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[30]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[31]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[32]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[33]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[34]
Liraglutide	DM3FXPS	Non-insulin dependent diabetes	5A11	Approved	[35]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[36]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[37]
Procaine	DM4LSNE	Anaesthesia	9A78.6	Approved	[33]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[38]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Catalase (CAT)	OTHEBX9R	CATA_HUMAN	Gene/Protein Processing	[2]
Estrogen receptor (ESR1)	OTKLU61J	ESR1_HUMAN	Gene/Protein Processing	[3]
Glutathione reductase, mitochondrial (GSR)	OTM2TUYM	GSHR_HUMAN	Gene/Protein Processing	[2]

References

• [1] PEG-immobilization of cardol and soluble polymer-supported synthesis of some cardol-coumarin derivatives: preliminary evaluation of their inhibitor... Bioorg Med Chem Lett. 2009 Jan 1;19(1):36-9.
• [2] Effects of resveratrol and 4-hexylresorcinol on hydrogen peroxide-induced oxidative DNA damage in human lymphocytes. Free Radic Res. 2003 May;37(5):509-14.
• [3] Identification of xenoestrogens in food additives by an integrated in silico and in vitro approach. Chem Res Toxicol. 2009 Jan;22(1):52-63. doi: 10.1021/tx800048m.
• [4] Identification of an Alkylhydroquinone from Rhus succedanea as an Inhibitor of Tyrosinase and Melanogenesis. J Agric Food Chem. 2009 Mar 25;57(6):2200-5.
• [5] Safety and immunogenicity of vaccination with MART-1 (26-35, 27L), gp100 (209-217, 210M), and tyrosinase (368-376, 370D) in-adjuvant with PF-3512676 and GM-CSF in metastatic melanoma. Correction in: volume 35 on page 650.
• [6] National Cancer Institute Drug Dictionary (drug id 685201).
• [7] An immuno-oncology company developing a novel polyvalent antigen therapy for the treatment of melanoma. Polynoma. 2015.
• [8] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [9] ClinicalTrials.gov (NCT00003362) Vaccine Therapy Plus Immune Adjuvants in Treating Patients With Advanced Melanoma. U.S. National Institutes of Health.
• [10] Gelatinase inhibitors: a patent review (2011-2017).Expert Opin Ther Pat. 2018 Jan;28(1):31-46.
• [11] Tyrosinase inhibitors: a patent review (2011-2015).Expert Opin Ther Pat. 2016;26(3):347-62.
• [12] Mechanism of cisplatin proximal tubule toxicity revealed by integrating transcriptomics, proteomics, metabolomics and biokinetics. Toxicol In Vitro. 2015 Dec 25;30(1 Pt A):117-27.
• [13] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [14] Cytotoxic Effects of Cannabinoids on Human HT-29 Colorectal Adenocarcinoma Cells: Different Mechanisms of THC, CBD, and CB83. Int J Mol Sci. 2020 Aug 1;21(15):5533. doi: 10.3390/ijms21155533.
• [15] Comparison of characteristics of peroxide-conditioned immortal human lens-epithelial cell lines with their murine counterparts. Exp Eye Res. 2004 Sep;79(3):411-7.
• [16] Molecular mechanisms of hepatotoxic cholestasis by clavulanic acid: Role of NRF2 and FXR pathways. Food Chem Toxicol. 2021 Dec;158:112664. doi: 10.1016/j.fct.2021.112664. Epub 2021 Nov 9.
• [17] Quercetin modulates Nrf2 and glutathione-related defenses in HepG2 cells: Involvement of p38. Chem Biol Interact. 2012 Jan 25;195(2):154-64.
• [18] Pharmacotoxicology of clinically-relevant concentrations of obeticholic acid in an organotypic human hepatocyte system. Toxicol In Vitro. 2017 Mar;39:93-103.
• [19] Glutathione depletion in antioxidant defense of differentiated NT2-LHON cybrids. Neurobiol Dis. 2007 Mar;25(3):536-44.
• [20] Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.
• [21] An approach to elucidate potential mechanism of renal toxicity of arsenic trioxide. Exp Hematol. 2007 Feb;35(2):252-62.
• [22] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [23] Role of antioxidant systems in human androgen-independent prostate cancer cells. Prostate. 2000 May 1;43(2):144-9. doi: 10.1002/(sici)1097-0045(20000501)43:2<144::aid-pros9>3.0.co;2-h.
• [24] Selenium deficiency alters epithelial cell morphology and responses to influenza. Free Radic Biol Med. 2007 Jun 15;42(12):1826-37.
• [25] Hepatocellular peroxisomes in human alcoholic and drug-induced hepatitis: a quantitative study. Hepatology. 1991 Nov;14(5):811-7.
• [26] Antioxidant enzyme and malondialdehyde values in social phobia before and after citalopram treatment. Eur Arch Psychiatry Clin Neurosci. 2004 Aug;254(4):231-5.
• [27] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [28] The effect of statins on lipids peroxidation and activities of antioxidants enzymes in patients with dyslipidemia. Przegl Lek. 2006;63(9):738-42.
• [29] 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.
• [30] Estrogen-like activity of metals in MCF-7 breast cancer cells. Endocrinology. 2003 Jun;144(6):2425-36. doi: 10.1210/en.2002-221054.
• [31] Cross-talk between non-genomic and genomic signalling pathways--distinct effect profiles of environmental estrogens. Toxicol Appl Pharmacol. 2010 Jun 1;245(2):160-70. doi: 10.1016/j.taap.2010.02.015. Epub 2010 Mar 4.
• [32] Bidirectional cross talk between ERalpha and EGFR signalling pathways regulates tamoxifen-resistant growth. Breast Cancer Res Treat. 2006 Mar;96(2):131-46. doi: 10.1007/s10549-005-9070-2. Epub 2005 Oct 27.
• [33] Sensitivity of human dental pulp cells to eighteen chemical agents used for endodontic treatments in dentistry. Odontology. 2013 Jan;101(1):43-51.
• [34] The dual ErbB1/ErbB2 inhibitor, lapatinib (GW572016), cooperates with tamoxifen to inhibit both cell proliferation- and estrogen-dependent gene expression in antiestrogen-resistant breast cancer. Cancer Res. 2005 Jan 1;65(1):18-25.
• [35] Antitumoral activity of liraglutide, a new DNMT inhibitor in breast cancer cells in vitro and in vivo. Chem Biol Interact. 2021 Nov 1;349:109641. doi: 10.1016/j.cbi.2021.109641. Epub 2021 Sep 14.
• [36] Estrogen receptor alpha mediates the proliferative but not the cytotoxic dose-dependent effects of two major phytoestrogens on human breast cancer cells. Mol Pharmacol. 2001 Sep;60(3):595-602.
• [37] Novel retinoic acid metabolism blocking agents have potent inhibitory activities on human breast cancer cells and tumour growth. Br J Cancer. 2007 Apr 23;96(8):1204-15. doi: 10.1038/sj.bjc.6603705. Epub 2007 Mar 27.
• [38] Prediction of the combined effects of multiple estrogenic chemicals on MCF-7 human breast cancer cells and a preliminary molecular exploration of the estrogenic proliferative effects and related gene expression. Ecotoxicol Environ Saf. 2018 Sep 30;160:1-9. doi: 10.1016/j.ecoenv.2018.05.025. Epub 2018 May 21.