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

General Information of Drug (ID: DMZTL7H)

• Drug Name: T487 Drug Info
• Synonyms: AC1MVK5U; 2-(2,4-diethyloctoxy)-N-[2-(2,4-diethyloctoxy)ethyl]-N-methyl-ethanamine; 2-(2,4-diethyloctoxy)-N-[2-(2,4-diethyloctoxy)ethyl]-N-methylethanamine

Indication

Disease Entry	ICD 11	Status	REF
Psoriatic disorder	EA90	Discontinued in Phase 2	[1]
Inflammation	1A00-CA43.1	Discontinued in Phase 1	[1]

• Cross-matching ID:
  PubChem CID: 12896
  ChEBI ID: CHEBI:75648
  CAS Number: CAS 730-40-5
  TTD Drug ID: DMZTL7H

Molecule-Related Drug Atlas

Drug(s) Targeting C-X-C chemokine receptor type 3 (CXCR3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
JT07	DMHBWOP	Solid tumour/cancer	2A00-2F9Z	Preclinical	[4]
dioscin	DM5H2W9	Hepatic fibrosis	DB93.0	Preclinical	[5]
kallstroemin D	DM7YAE0	Discovery agent	N.A.	Investigative	[5]
NBI-74330	DMURC6X	Discovery agent	N.A.	Investigative	[2]
Sch-900875	DM346KA	Inflammation	1A00-CA43.1	Investigative	[6]
hypoglaucin A	DMJKIUX	Discovery agent	N.A.	Investigative	[5]

Drug(s) Affected By Nuclear factor erythroid 2-related factor 2 (NFE2L2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[7]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[8]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[9]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[10]
Selenium	DM25CGV	N. A.	N. A.	Approved	[11]
TECFIDERA	DM2OVDT	Multiple sclerosis	8A40	Approved	[12]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[13]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[14]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[15]
Furazolidone	DM3P6V7	Diarrhea	ME05.1	Approved	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-X-C chemokine receptor type 3 (CXCR3)	TT1UCIJ	CXCR3_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Nuclear factor erythroid 2-related factor 2 (NFE2L2)	OT0HENJ5	NF2L2_HUMAN	Gene/Protein Processing	[3]

References

• [1] Clinical pipeline report, company report or official report of ChemoCentryx.
• [2] Pharmacological characterization of CXC chemokine receptor 3 ligands and a small molecule antagonist. J Pharmacol Exp Ther. 2005 Jun;313(3):1263-71.
• [3] Effects of hair dye ingredients on the oxidative stress response: Modulation of the mRNA expressions of NRF2, HO-1, and FOS in HaCaT keratinocytes. Contact Dermatitis. 2020 May;82(5):332-334. doi: 10.1111/cod.13478. Epub 2020 Feb 6.
• [4] Clinical pipeline report, company report or official report of Jyant Technologies.
• [5] Discovery of structurally diverse natural product antagonists of chemokine receptor CXCR3. Mol Divers. 2005;9(1-3):123-9.
• [6] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 70).
• [7] Gingival Stromal Cells as an In Vitro Model: Cannabidiol Modulates Genes Linked With Amyotrophic Lateral Sclerosis. J Cell Biochem. 2017 Apr;118(4):819-828. doi: 10.1002/jcb.25757. Epub 2016 Nov 28.
• [8] Protective role of HO-1 for alcohol-dependent liver damage. Dig Dis. 2010;28(6):792-8. doi: 10.1159/000324287. Epub 2011 Apr 27.
• [9] Sertraline induces endoplasmic reticulum stress in hepatic cells. Toxicology. 2014 Aug 1;322:78-88. doi: 10.1016/j.tox.2014.05.007. Epub 2014 May 24.
• [10] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [11] 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.
• [12] Distinct Nrf2 Signaling Mechanisms of Fumaric Acid Esters and Their Role in Neuroprotection against 1-Methyl-4-Phenyl-1,2,3,6-Tetrahydropyridine-Induced Experimental Parkinson's-Like Disease. J Neurosci. 2016 Jun 8;36(23):6332-51. doi: 10.1523/JNEUROSCI.0426-16.2016.
• [13] Simvastatin protects dopaminergic neurons against MPP+-induced oxidative stress and regulates the endogenous anti-oxidant system through ERK. Cell Physiol Biochem. 2018;51(4):1957-1968.
• [14] P450 3A-catalyzed O-dealkylation of lapatinib induces mitochondrial stress and activates Nrf2. Chem Res Toxicol. 2016 May 16;29(5):784-96.
• [15] 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.
• [16] P21(Waf1/Cip1) plays a critical role in furazolidone-induced apoptosis in HepG2 cells through influencing the caspase-3 activation and ROS generation. Food Chem Toxicol. 2016 Feb;88:1-12. doi: 10.1016/j.fct.2015.12.004. Epub 2015 Dec 11.