Literature summary for 2.7.7.49 extracted from

Stanton, R.A.; Lu, X.; Detorio, M.; Montero, C.; Hammond, E.T.; Ehteshami, M.; Domaoal, R.A.; Nettles, J.H.; Feraud, M.; Schinazi, R.F.
Discovery, characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors (2016), Bioorg. Med. Chem. Lett., 26, 4101-4105 .

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Application

Application	Comment	Organism
drug development	characterization, and lead optimization of 7-azaindole non-nucleoside HIV-1 reverse transcriptase inhibitors	Human immunodeficiency virus 1

Protein Variants

Protein Variants	Comment	Organism
K103N	clinically important mutant	Human immunodeficiency virus 1
Y181C	clinically important mutant	Human immunodeficiency virus 1

Inhibitors

Inhibitors	Comment	Organism	Structure
1-benzyl-4-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-benzyl-4-(2,6-dimethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-benzyl-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-benzyl-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-benzyl-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-benzyl-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-benzyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile	-	Human immunodeficiency virus 1
1-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-oxo-1,5-dihydroindeno[1,2-b]pyrrolo[3,2-e]pyridine-3-carbonitrile	-	Human immunodeficiency virus 1
1-tert-butyl-5-formyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile	-	Human immunodeficiency virus 1
2-acetyl-4-[4-(dimethylamino)phenyl]indeno[1,2-b]pyrrolo[3,2-e]pyridin-5(1H)-one	-	Human immunodeficiency virus 1
efavirenz	antiviral potency, EC50: 0.000001 mM	Human immunodeficiency virus 1
nevirapine	antiviral potency, EC50: 0.00004 mM	Human immunodeficiency virus 1

Organism

Organism	UniProt	Comment	Textmining
Human immunodeficiency virus 1	-	-	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00001	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	efavirenz
0.00016	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	nevirapine
0.00036	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-4-(2,6-difluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile
0.00058	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-oxo-1,5-dihydroindeno[1,2-b]pyrrolo[3,2-e]pyridine-3-carbonitrile
0.00073	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile
0.0014	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile
0.0029	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile
0.0063	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-butyl-4-[2-fluoro-4-(trifluoromethyl)phenyl]-5-oxo-1,5-dihydroindeno[1,2-b]pyrrolo[3,2-e]pyridine-3-carbonitrile
0.012	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile
0.014	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-tert-butyl-5-formyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
0.015	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	2-acetyl-4-[4-(dimethylamino)phenyl]indeno[1,2-b]pyrrolo[3,2-e]pyridin-5(1H)-one
0.026	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-4-(2,6-dimethylphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile
0.058	-	pH and temperature not specified in the publication	Human immunodeficiency virus 1	1-benzyl-4-(3-chlorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-1H-pyrrolo[2,3-b]quinoline-3-carbonitrile

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Release 2023.1 (January 2023)