TDR Targets

Basic information

Technical information

TDR Targets ID: 797320
Name: 2-amino-4-(4-fluorophenyl)-1-(2-nitrophenyl)- 5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitr ile
MW: 404.394 | Formula: C22H17FN4O3
H donors: 1 H acceptors: 4 LogP: 3.63 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#CC1=C(N)N(C2=C(C1c1ccc(cc1)F)C(=O)CCC2)c1ccccc1[N+](=O)[O-]
InChi: 1S/C22H17FN4O3/c23-14-10-8-13(9-11-14)20-15(12-24)22(25)26(18-6-3-7-19(28)21(18)20)16-4-1-2-5-17(16)27(29)30/h1-2,4-5,8-11,20H,3,6-7,25H2
InChiKey: BRXQUGXKFNJQHX-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-amino-4-(4-fluorophenyl)-5-keto-1-(2-nitrophenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
A2160/0090762
Oprea1_052196

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.3603	0.3623
Loa Loa (eye worm)	hypothetical protein	0.0054	0.6537	0.6507
Loa Loa (eye worm)	hypothetical protein	0.003	0.2061	0.1918
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.9196	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0073	0.9944	1
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0021	0.0424	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.3391	0.3281
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0021	0.0424	0.0462
Entamoeba histolytica	hypothetical protein	0.0035	0.304	0.2748
Brugia malayi	PHD-finger family protein	0.0024	0.0963	0.0562
Schistosoma mansoni	chromobox protein	0.0069	0.9196	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0073	0.9944	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.1519	0.1248
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0073	0.9944	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.4144	0.4241
Echinococcus multilocularis	chromobox protein 1	0.0069	0.9196	1
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0424	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.9944	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.6537	0.6507
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0021	0.0424	0.024
Plasmodium falciparum	acyl-CoA synthetase	0.0054	0.6537	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.5987	0.5844
Schistosoma mansoni	chromobox protein	0.0069	0.9196	1
Entamoeba histolytica	hypothetical protein	0.0035	0.304	0.2748
Schistosoma mansoni	bromodomain containing protein	0.0062	0.7886	0.8575
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0073	0.9944	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0073	0.9944	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0073	0.9944	1
Trichomonas vaginalis	chromobox protein, putative	0.0069	0.9196	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.304	0.3306
Echinococcus multilocularis	chromobox protein 1	0.0069	0.9196	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.3603	0.3339
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.724	0.7873
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0073	0.9944	1
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0424	0.5
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0021	0.0424	0.5
Loa Loa (eye worm)	hypothetical protein	0.0069	0.9228	0.9267
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0054	0.6537	0.6421
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0021	0.0424	0.5
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0021	0.0424	0.024
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.9944	0.9941
Echinococcus granulosus	chromobox protein 1	0.0069	0.9196	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.6537	0.6507
Entamoeba histolytica	hypothetical protein	0.0035	0.304	0.2748
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.5987	0.5844
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0424	0.024
Brugia malayi	Bromodomain containing protein	0.0037	0.3378	0.3085
Loa Loa (eye worm)	heterochromatin protein 1	0.0069	0.9196	0.9233
Brugia malayi	Heterochromatin protein 1	0.0069	0.9196	0.916
Loa Loa (eye worm)	hypothetical protein	0.0042	0.4163	0.4073
Loa Loa (eye worm)	hypothetical protein	0.0073	0.9944	1
Schistosoma mansoni	acetyl-CoA synthetase	0.0021	0.0424	0.0462
Loa Loa (eye worm)	hypothetical protein	0.0039	0.3603	0.3498
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.9944	1
Onchocerca volvulus		0.0073	0.9944	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.304	0.3306
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.724	0.7873
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0535	0.0582
Loa Loa (eye worm)	oxidoreductase	0.0021	0.0424	0.024
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.4144	0.3908
Leishmania major	4-coumarate:coa ligase-like protein	0.0073	0.9944	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.2951	0.3209
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.5987	0.5844
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.1519	0.1248
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.4144	0.4241
Schistosoma mansoni	hypothetical protein	0.002	0.0191	0.0207
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0535	0.0582
Brugia malayi	hypothetical protein	0.0035	0.304	0.2732
Onchocerca volvulus		0.003	0.2061	0.1719
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0021	0.0424	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0073	0.9944	1
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0021	0.0424	0.0462
Brugia malayi	chromobox protein homolog 3	0.0039	0.3603	0.3319
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.9944	1
Echinococcus granulosus	chromobox protein 1	0.0069	0.9196	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0535	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0073	0.9944	1
Schistosoma mansoni	hypothetical protein	0.0035	0.304	0.3306
Entamoeba histolytica	hypothetical protein	0.0035	0.304	0.2748
Toxoplasma gondii	propionate-CoA ligase	0.0021	0.0424	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.2951	0.3209
Loa Loa (eye worm)	hypothetical protein	0.0054	0.6537	0.6507
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.9944	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.3818	0.3719
Loa Loa (eye worm)	hypothetical protein	0.0073	0.9944	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0424	0.024
Mycobacterium ulcerans	hypothetical protein	0.0073	0.9944	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0073	0.9944	1
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.9944	0.9941
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.9944	0.9941
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0073	0.9944	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.3603	0.3623
Loa Loa (eye worm)	hypothetical protein	0.0054	0.6537	0.6507
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0021	0.0424	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0054	0.6537	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0073	0.9944	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0051	0.5987	0.5844
Leishmania major	4-coumarate:coa ligase-like protein	0.0073	0.9944	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0054	0.6537	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.304	0.3306
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0054	0.6537	0.6421
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0021	0.0424	0.5

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 797320