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

General Information of Drug (ID: DMMBAR3)

• Drug Name: NSC-645808 Drug Info
• Synonyms: CHEMBL124374; NSC-645808; 5-{[2-(dimethylamino)ethyl]amino}-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one; NCI60_015697; AC1Q6J9E; Neuro_000341; AC1L832L; SCHEMBL13526627; CTK6I0981; ZINC5502555; SR-01000882454

Indication

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

• Cross-matching ID:
  PubChem CID: 371510
  TTD Drug ID: DMMBAR3

Molecule-Related Drug Atlas

Drug(s) Targeting Quinone reductase 1 (NQO1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ARQ 761	DMH5CAL	Pancreatic cancer	2C10	Phase 2	[3]
Coenzyme Q10 analog	DMO0VGH	Huntington disease	8A01.10	Phase 2	[4]
BioE-743	DM7PT8R	Leigh syndrome	5C53.24	Phase 2	[5]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[6]
NSC-106080	DMR6P9S	Discovery agent	N.A.	Investigative	[7]
NSC-99528	DMXZAIG	Discovery agent	N.A.	Investigative	[7]
NSC-354279	DMVL51I	Discovery agent	N.A.	Investigative	[2]
Duroquinone	DML7YPS	Discovery agent	N.A.	Investigative	[6]
Ethyl Bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetate	DMJQTIK	Discovery agent	N.A.	Investigative	[8]
3-Benzyl-4-hydroxy-2H-benzo[h]chromen-2-one	DMA5EHC	Discovery agent	N.A.	Investigative	[8]

Drug(s) Targeting Quinone reductase 2 (NQO2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Melatonin	DMKWFBT	Depression	6A70-6A7Z	Approved	[9]
NSC-645809	DMPJQZG	Breast cancer	2C60-2C65	Phase 2	[1]
Prolarix	DMZIQ8G	Solid tumour/cancer	2A00-2F9Z	Phase 2	[10]
CB1954	DMVP4YK	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[6]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[6]
2-iodo-melatonin	DMSEIUP	Discovery agent	N.A.	Investigative	[11]
3,4,5-Trimethoxy-4'-amino-trans-stilbene	DMDBOJ5	Discovery agent	N.A.	Investigative	[12]
decynium 22	DMWCTZ7	Discovery agent	N.A.	Investigative	[7]
NSC-106080	DMR6P9S	Discovery agent	N.A.	Investigative	[7]
NSC-99528	DMXZAIG	Discovery agent	N.A.	Investigative	[7]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Quinone reductase 1 (NQO1)	TT8XK6L	NQO1_HUMAN	Inhibitor	[2]
Quinone reductase 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

References

• [1] Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.
• [2] In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] Therapeutic strategies for Leber's hereditary optic neuropathy: A current update. Intractable Rare Dis Res. 2013 November; 2(4): 130-135.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [7] In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
• [8] Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). J Med Chem. 2009 Nov 26;52(22):7142-56.
• [9] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [10] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [11] Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.
• [12] Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. Bioorg Med Chem. 2010 Jul 15;18(14):5352-66.