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

General Information of Drug (ID: DM9L2VR)

• Drug Name: PMID28454500-Compound-95 Drug Info
• Cross-matching ID:
  PubChem CID: 21450
  CAS Number: CAS 5351-17-7
  TTD Drug ID: DM9L2VR

Molecule-Related Drug Atlas

Drug(s) Targeting Nuclear factor erythroid 2-related factor 2 (Nrf2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Omaveloxolone	DMLMNFX	Friedreich's ataxia	8A03.10	Approved	[3]
CXA10	DMM7Z6K	Focal segmental glomerulosclerosis	MF8Y	Phase 2	[4]
SFX-01	DMAQW9M	Breast cancer	2C60-2C65	Phase 2	[5]
ABT-RTA-408	DM9Y1XB	Non-small-cell lung cancer	2C25.Y	Phase 2	[6]
OT-551	DMTNOXQ	Ocular inflammation	9C61.24	Phase 2	[7]
OT551	DMHKIOF	Age-related macular degeneration	9B75.0	Phase 2	[8]
HPP971	DMZXG7Q	Non-alcoholic steatohepatitis	DB92.1	Phase 1	[9]
PMID28454500-Compound-57	DMTK9M6	N. A.	N. A.	Patented	[1]
PMID28454500-Compound-8	DM6BQFA	N. A.	N. A.	Patented	[1]
Pyrazino[2,1-a]isoquinolin derivative 4	DMKTNBC	N. A.	N. A.	Patented	[1]

Drug(s) Affected By Myeloperoxidase (MPO)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dapsone	DM4LT8A	Acne vulgaris	ED80	Approved	[10]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[11]
Ibuprofen	DM8VCBE	Dysmenorrhea	GA34.3	Approved	[10]
Sulfamethoxazole	DMB08GE	Acute otitis media	AB00	Approved	[10]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[12]
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[13]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[14]
Penicillamine	DM40EF6	Cystinuria	5C60.2	Approved	[15]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[16]
Propylthiouracil	DM6D7N8	Hyperthyroidism	5A02	Approved	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear factor erythroid 2-related factor 2 (Nrf2)	TTA6ZN2	NF2L2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Myeloperoxidase (MPO)	OTOOXLIN	PERM_HUMAN	Gene/Protein Processing	[2]

References

• [1] Recent progress in the development of small molecule Nrf2 modulators: a patent review (2012-2016).Expert Opin Ther Pat. 2017 Jul;27(7):763-785.
• [2] 7-Hydroxycoumarin modulates the oxidative metabolism, degranulation and microbial killing of human neutrophils. Chem Biol Interact. 2013 Oct 25;206(1):63-75. doi: 10.1016/j.cbi.2013.08.010. Epub 2013 Aug 28.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] The Keap1-Nrf2 pathway: promising therapeutic target to counteract ROS-mediated damage in cancers and neurodegenerative diseases. Biophys Rev. 2017 Feb;9(1):41-56.
• [5] Therapeutic targeting of the NRF2 and KEAP1 partnership in chronic diseases. Nat Rev Drug Discov. 2019 Apr;18(4):295-317.
• [6] National Cancer Institute Drug Dictionary (drug id 756624).
• [7] New hope for dry AMD. Nat Rev Drug Discov. 2013 Jul;12(7):501-2.
• [8] Nitroxide pharmaceutical development for age-related degeneration and disease. Front Genet. 2015 Nov 6;6:325.
• [9] Clinical pipeline report, company report or official report of vTv Therapeutics.
• [10] 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.
• [11] Low doses of cisplatin induce gene alterations, cell cycle arrest, and apoptosis in human promyelocytic leukemia cells. Biomark Insights. 2016 Aug 24;11:113-21.
• [12] An evaluation of myeloperoxidase-mediated bio-activation of NSAIDs in promyelocytic leukemia (HL-60) cells for potential cytotoxic selectivity. Toxicol Lett. 2017 Oct 5;280:48-56.
• [13] Differentiation between stoichiometric and anticatalytic antioxidant properties of benzoic acid analogues: a structure/redox potential relationship study. Chem Biol Interact. 2013 Nov 25;206(2):194-203.
• [14] Suppression of RAGE as a basis of simvastatin-dependent plaque stabilization in type 2 diabetes. Arterioscler Thromb Vasc Biol. 2006 Dec;26(12):2716-23.
• [15] Effect of anti-rheumatic drugs on the release of lysosomal enzymes from human leukocytes. Z Rheumatol. 1984 Jan-Feb;43(1):23-6.
• [16] Benzodithiophenes induce differentiation and apoptosis in human leukemia cells. Cancer Res. 2005 Sep 1;65(17):7847-55. doi: 10.1158/0008-5472.CAN-05-1053.
• [17] Inhibition of oxidation activity of myeloperoxidase (MPO) by propylthiouracil (PTU) and anti-MPO antibodies from patients with PTU-induced vasculitis. Clin Immunol. 2007 Feb;122(2):187-93. doi: 10.1016/j.clim.2006.09.011. Epub 2006 Oct 27.