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

General Information of Drug (ID: DM82XAU)

Drug Name

NSC-77833 Drug Info

Synonyms

NSC-77833; NSC77833; CHEMBL1287981; 1-[2-(1H-indol-3-yl)vinyl]isoquinoline; 1-(2-(1H-Indol-3-yl)vinyl)isoquinoline; 1586-48-7; AC1NZRQZ; AC1Q4YF7; 1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline; MolPort-019-790-899; ZINC8616455; BDBM50332192; AKOS030605780; NCGC00184063-01; NCGC00184063-05; NCGC00184063-02; NCGC00184063-03; NCGC00184063-04; 1-[(E)-2-(1H-indol-3-yl)vinyl]isoquinoline; AT-051/43421284; Isoquinoline, 1-[(E)-2-(1H-indol-3-yl)ethenyl]-

Indication

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

Cross-matching ID

PubChem CID: 5940197
CAS Number: CAS 1586-48-7
TTD Drug ID: DM82XAU

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Discontinued Drug(s)

Investigative Drug(s)

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Drug(s) Targeting Quinone reductase 2 (NQO2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Melatonin	DMKWFBT	Depression	6A70-6A7Z	Approved	[2]
NSC-645809	DMPJQZG	Breast cancer	2C60-2C65	Phase 2	[3]
Prolarix	DMZIQ8G	Solid tumour/cancer	2A00-2F9Z	Phase 2	[4]
CB1954	DMVP4YK	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[5]
Flavin-Adenine Dinucleotide	DM5S4GK	Discovery agent	N.A.	Investigative	[5]
2-iodo-melatonin	DMSEIUP	Discovery agent	N.A.	Investigative	[6]
3,4,5-Trimethoxy-4'-amino-trans-stilbene	DMDBOJ5	Discovery agent	N.A.	Investigative	[7]
NSC-645808	DMMBAR3	Discovery agent	N.A.	Investigative	[3]
decynium 22	DMWCTZ7	Discovery agent	N.A.	Investigative	[1]
NSC-106080	DMR6P9S	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 2 (NQO2)	TTJLP0R	NQO2_HUMAN	Inhibitor	[1]

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References

1	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.
2	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
3	Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. Bioorg Med Chem Lett. 2010 May 1;20(9):2832-6.
4	CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
5	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
6	Synthesis of casimiroin and optimization of its quinone reductase 2 and aromatase inhibitory activities. J Med Chem. 2009 Apr 9;52(7):1873-84.
7	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.