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

General Information of Drug (ID: DM3BFX0)

Drug Name

3-Benzyl-4-hydroxy-2H-chromen-2-one Drug Info

Synonyms

4-Hydroxy-3-benzylcoumarin; 15074-18-7; 3-Benzyl-4-hydroxy-2H-chromen-2-one; 3-Benzyl-4-hydroxy-chromen-2-one; 3-benzyl-4-hydroxycoumarin; 3-benzyl-4-hydroxy-2h-1-benzopyran-2-one; 3Bz-4OHBzpyran2one; 4-hydroxy-coumarin 8; CBMicro_020160; AC1L9T1B; 3-Benzyl-4-hydroxy-cumarin; Oprea1_155335; 3-benzyl-4-hydroxy-coumarin; Oprea1_579559; 3-benzyl-4 -hydroxycoumarin; SCHEMBL1648186; CHEMBL574145; BDBM2566; JMC527142 Compound 27; 3-benzyl-2-hydroxychromen-4-one; DTXSID60715769; 4-hydroxy-3-benzylchromen-2-one; MolPort-001-017-230

Indication

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

Cross-matching ID

PubChem CID: 54686112
CAS Number: CAS 15074-18-7
TTD Drug ID: DM3BFX0

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Investigative Drug(s)

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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	[2]
Coenzyme Q10 analog	DMO0VGH	Huntington disease	8A01.10	Phase 2	[3]
BioE-743	DM7PT8R	Leigh syndrome	5C53.24	Phase 2	[4]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[5]
NSC-645808	DMMBAR3	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	[6]
Duroquinone	DML7YPS	Discovery agent	N.A.	Investigative	[5]
Ethyl Bis(4-hydroxy-2-oxo-2H-chromen-3-yl)acetate	DMJQTIK	Discovery agent	N.A.	Investigative	[1]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

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

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References

1	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.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	Therapeutic strategies for Leber's hereditary optic neuropathy: A current update. Intractable Rare Dis Res. 2013 November; 2(4): 130-135.
4	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
6	In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6246-54.
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.