TDR Targets

Basic information

Technical information

TDR Targets ID: 722079
Name: N-(3,4-difluorophenyl)-4-(3,4-dihydro-1H-isoq uinolin-2-ylmethyl)benzamide
MW: 378.415 | Formula: C23H20F2N2O
H donors: 1 H acceptors: 1 LogP: 4.32 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)CN1CCc2c(C1)cccc2)Nc1ccc(c(c1)F)F
InChi: 1S/C23H20F2N2O/c24-21-10-9-20(13-22(21)25)26-23(28)18-7-5-16(6-8-18)14-27-12-11-17-3-1-2-4-19(17)15-27/h1-10,13H,11-12,14-15H2,(H,26,28)
InChiKey: KDAABDYJDGTGCT-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

No synonyms found for this compound

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
Brugia malayi	beta-lactamase family protein	0.0035	0.0938	0.362
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0132	0.0838
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0664	0.4208
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0664	0.2562
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0664	0.4208
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0938	0.362
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0938	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0132	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0664	0.2562
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0938	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0664	0.2562
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1578	0.6088
Brugia malayi	beta-lactamase	0.0035	0.0938	0.362
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0664	0.4208
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0664	0.2562
Schistosoma mansoni	hypothetical protein	0.007	0.2591	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.136	0.5248
Mycobacterium ulcerans	lipase LipD	0.0035	0.0938	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1578	0.6088
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0664	0.2562
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0132	0.051
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0938	0.0817
Onchocerca volvulus		0.0035	0.0938	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0664	0.4208
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0664	0.2562
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0938	0.0817
Trichomonas vaginalis	esterase, putative	0.0035	0.0938	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0664	0.2562
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0132	0.5
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0664	0.2562
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0664	0.2562
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0938	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.136	0.8621
Brugia malayi	hypothetical protein	0.0016	0.0005	0.0019
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.136	0.5248
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0664	0.2562
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0664	0.2562
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0416	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Brugia malayi	hypothetical protein	0.0024	0.0416	0.1604
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.136	0.5248
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0938	0.0817
Schistosoma mansoni	transcription factor LCR-F1	0.007	0.2591	1
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0664	0.2562
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0664	0.2562
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0938	0.5
Toxoplasma gondii	ABC1 family protein	0.0035	0.0938	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0416	0.3518
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0938	0.362
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1578	1
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0664	0.2562
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0416	0.3518
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0938	0.0817
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0664	0.2562
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.136	0.5248
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0664	0.2562
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0938	0.0817
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0416	0.3518
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0664	0.2562
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0938	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0938	0.5946
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0664	0.2562
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.136	0.5248
Entamoeba histolytica	hypothetical protein	0.007	0.2591	1
Brugia malayi	nuclear receptor NHR-88	0.003	0.0664	0.2562
Brugia malayi	hypothetical protein	0.007	0.2591	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0938	0.362
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0664	0.2562
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0664	0.2562
Schistosoma mansoni	coup transcription factor	0.003	0.0664	0.2562
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.007	0.2591	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0664	0.4208
Brugia malayi	nuclear hormone receptor	0.003	0.0664	0.2562
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.136	0.5248
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0664	0.2562
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0416	0.3518
Brugia malayi	ecdysteroid receptor	0.003	0.0664	0.2562
Onchocerca volvulus		0.0035	0.0938	1
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0938	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0938	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0938	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0664	0.2562
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0664	0.2562
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0664	0.2562
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0938	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0938	0.0817
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0664	0.2562
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0132	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0664	0.2562
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0664	0.2562
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0664	0.2562
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0664	0.2562
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0938	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0938	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0938	0.362
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0938	0.0817
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0938	0.0817
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0938	0.0817
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0938	1
Leishmania major	hypothetical protein, conserved	0.0024	0.0416	0.3518
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0938	0.5946
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1578	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0416	0.3518
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0664	0.2562
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0938	0.5946
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0664	0.2562
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0843	0.3254
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0938	0.5946
Schistosoma mansoni	hypothetical protein	0.0033	0.0843	0.3254
Onchocerca volvulus		0.0035	0.0938	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0132	0.051
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0132	0.051
Entamoeba histolytica	hypothetical protein	0.007	0.2591	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0664	0.4208
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0664	0.4208
Schistosoma mansoni	ap endonuclease	0.0018	0.0132	0.051
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.007	0.2591	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0938	0.362
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0664	0.2562
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0938	1
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0938	0.0817
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0664	0.2562
Entamoeba histolytica	hypothetical protein	0.007	0.2591	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0938	0.5946
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0664	0.2562
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0843	0.5345
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0938	0.5946
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0938	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0938	0.5946
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0416	0.2635
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.136	0.5248
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0664	0.2562
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0938	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Brugia malayi	steroid hormone receptor	0.003	0.0664	0.2562
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.136	0.5248
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0664	0.4208
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0938	0.362
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0938	0.5946
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0664	0.2562
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.003	0.0664	0.2562
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0664	0.2562
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0938	1
Schistosoma mansoni	retinoic acid receptor RXR	0.003	0.0664	0.2562
Loa Loa (eye worm)	hypothetical protein	0.003	0.0664	0.4208
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0664	0.2562
Schistosoma mansoni	ap endonuclease	0.0018	0.0132	0.051
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0416	1
Entamoeba histolytica	hypothetical protein	0.007	0.2591	1

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 722079