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

General Information of Drug (ID: DM1KO7U)

• Drug Name: 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol Drug Info
• Synonyms: Dihydroresveratrol; 58436-28-5; 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol; 3,4',5-Trihydroxybibenzyl; CHEMBL111234; CHEBI:4582; 5-(4-hydroxyphenethyl)benzene-1,3-diol; Dihydroresveratol; 3ftu; Dihydro-Resveratrol; RE2; a, b-Dihydroresveratrol; AC1L4HRG; C10255; 5-[2-(4-hydroxyphenyl)ethyl]-1,3-Benzenediol; 3,5,4'-trihydroxybibenzyl; 3,4'',5-trihydroxybibenzyl; 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethyl)-; SCHEMBL716856; AC1Q79W7; CTK5A8302; MolPort-035-706-156; ZINC899123; LMPK13090035; BDBM50085531; NSC723534; AKOS030555676

Indication

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

• Cross-matching ID:
  PubChem CID: 185914
  ChEBI ID: CHEBI:4582
  CAS Number: CAS 58436-28-5
  TTD Drug ID: DM1KO7U

Molecule-Related Drug Atlas

Drug(s) Targeting Leukotriene A-4 hydrolase (LTA4H)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Bestatin	DM8L9D4	Acute myeloid leukaemia	2A60	Approved	[4]
LYS006	DMI17QR	Ulcerative colitis	DD71	Phase 2	[5]
Acebilustat	DM19UTO	Chronic blistering skin disorder	ME63.3	Phase 1	[6]
DG051	DM3I0GS	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[7]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[8]
JNJ-10392980	DMZH0K8	Discovery agent	N.A.	Investigative	[9]
4-(2-amino-1,3-thiazol-4-yl)phenol	DMH5CAQ	Discovery agent	N.A.	Investigative	[1]
2-(4-phenoxyphenoxy)ethanamine	DM7TBUJ	Discovery agent	N.A.	Investigative	[10]
3-(Benzyloxy)Pyridin-2-Amine	DM35VEI	Discovery agent	N.A.	Investigative	[8]
2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine	DMD2QVO	Discovery agent	N.A.	Investigative	[11]

Drug(s) Affected By Aryl hydrocarbon receptor (AHR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[12]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[13]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[14]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[15]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[16]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[17]
Omeprazole	DM471KJ	Cystic fibrosis	CA25	Approved	[18]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
Rifampicin	DM5DSFZ	Non-insulin dependent diabetes	5A11	Approved	[20]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[21]

Drug(s) Affected By Fatty acid-binding protein, adipocyte (FABP4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Rofecoxib	DM3P5DA	Osteoarthritis	FA00-FA05	Approved	[22]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[23]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[24]
Zidovudine	DM4KI7O	Human immunodeficiency virus infection	1C62	Approved	[25]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[22]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[26]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[27]
Ursodeoxycholic acid	DMCUT21	Cholelithiasis	DC11	Approved	[28]
Fenofibrate	DMFKXDY	Coronary atherosclerosis		Approved	[29]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[30]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aryl hydrocarbon receptor (AHR)	OTFE4EYE	AHR_HUMAN	Gene/Protein Processing	[2]
Fatty acid-binding protein, adipocyte (FABP4)	OT3DKFOU	FABP4_HUMAN	Gene/Protein Processing	[3]

References

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• [3] Effects of long-term consumption of low doses of resveratrol on diet-induced mild hypercholesterolemia in pigs: a transcriptomic approach to disease prevention. J Nutr Biochem. 2012 Jul;23(7):829-37. doi: 10.1016/j.jnutbio.2011.04.007. Epub 2011 Aug 17.
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• [5] Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A(4) Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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• [9] Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.
• [10] Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6549-52.
• [11] Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem. 2008 Dec 25;51(24):7882-8.
• [12] Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
• [13] Oxidative stress modulates expression of immune checkpoint genes via activation of AhR signaling. Toxicol Appl Pharmacol. 2022 Dec 15;457:116314. doi: 10.1016/j.taap.2022.116314. Epub 2022 Nov 9.
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• [16] Sulindac and its metabolites induce carcinogen metabolizing enzymes in human colon cancer cells. Int J Cancer. 2008 Mar 1;122(5):990-8.
• [17] Quercetin, quercetin glycosides and taxifolin differ in their ability to induce AhR activation and CYP1A1 expression in HepG2 cells. Phytother Res. 2012 Nov;26(11):1746-52.
• [18] Omeprazole inhibits pancreatic cancer cell invasion through a nongenomic aryl hydrocarbon receptor pathway. Chem Res Toxicol. 2015 May 18;28(5):907-18.
• [19] Phenotypic characterization of retinoic acid differentiated SH-SY5Y cells by transcriptional profiling. PLoS One. 2013 May 28;8(5):e63862.
• [20] 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.
• [21] Induction of paraoxonase 1 and apolipoprotein A-I gene expression by aspirin. J Lipid Res. 2008 Oct;49(10):2142-8.
• [22] Rofecoxib modulates multiple gene expression pathways in a clinical model of acute inflammatory pain. Pain. 2007 Mar;128(1-2):136-47.
• [23] Induction of solid tumor differentiation by the peroxisome proliferator-activated receptor-gamma ligand troglitazone in patients with liposarcoma. Proc Natl Acad Sci U S A. 1999 Mar 30;96(7):3951-6. doi: 10.1073/pnas.96.7.3951.
• [24] Retinoic acid-induced downmodulation of telomerase activity in human cancer cells. Exp Mol Pathol. 2005 Oct;79(2):108-17.
• [25] Adipocyte differentiation, mitochondrial gene expression and fat distribution: differences between zidovudine and tenofovir after 6 months. Antivir Ther. 2009;14(8):1089-100. doi: 10.3851/IMP1457.
• [26] 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.
• [27] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
• [28] Ursodeoxycholic acid but not tauroursodeoxycholic acid inhibits proliferation and differentiation of human subcutaneous adipocytes. PLoS One. 2013 Dec 3;8(12):e82086. doi: 10.1371/journal.pone.0082086. eCollection 2013.
• [29] Differential effects of peroxisome proliferator-activated receptor activators on the mRNA levels of genes involved in lipid metabolism in primary human monocyte-derived macrophages. Metabolism. 2003 May;52(5):652-7. doi: 10.1053/meta.2003.50100.
• [30] Induction of the endoplasmic reticulum stress protein GADD153/CHOP by capsaicin in prostate PC-3 cells: a microarray study. Biochem Biophys Res Commun. 2008 Aug 8;372(4):785-91.