TDR Targets

Basic information

Technical information

TDR Targets ID: 1464778
Name: N-(4-methoxyphenyl)-3-nitro-4-(pyridin-3-ylme thylamino)benzamide
MW: 378.381 | Formula: C20H18N4O4
H donors: 2 H acceptors: 4 LogP: 3.52 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])NCc1cccnc1
InChi: 1S/C20H18N4O4/c1-28-17-7-5-16(6-8-17)23-20(25)15-4-9-18(19(11-15)24(26)27)22-13-14-3-2-10-21-12-14/h2-12,22H,13H2,1H3,(H,23,25)
InChiKey: OQZVCSMTRUHRKD-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

N-(4-methoxyphenyl)-3-nitro-4-(3-pyridylmethylamino)benzamide
ZINC04998283

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
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0672	0.0398	0.4507
Schistosoma mansoni	hypothetical protein	0.0495	0.0283	0.2681
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0396	0.0219	0.1698
Trichomonas vaginalis	conserved hypothetical protein	0.0422	0.0236	0.1972
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0658	0.0389	0.4465
Trypanosoma cruzi	target of rapamycin kinase 3	0.1174	0.0722	0.2082
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.029	0.0151	0.0036
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.029	0.0151	0.2068
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0552	0.032	0.3349
Loa Loa (eye worm)	phosphatidylinositol 3	0.0775	0.0464	0.6377
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0124	0.0044	0.0126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1151	0.0707	0.9661
Entamoeba histolytica	hypothetical protein	0.0672	0.0398	0.4611
Toxoplasma gondii	FATC domain-containing protein	0.0672	0.0398	0.4672
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0235	0.0115	0.0317
Loa Loa (eye worm)	phosphatidylinositol 3	0.0235	0.0115	0.1577
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1163	0.0715	0.9817
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1205	0.0743	0.0635
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1164	0.0716	0.9791
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0057	0	0.5
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1183	0.0728	0.0621
Brugia malayi	Cytochrome P450 family protein	0.012	0.0041	0.0551
Entamoeba histolytica	protein kinase rad3, putative	0.0656	0.0388	0.4445
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0235	0.0115	0.1547
Loa Loa (eye worm)	hypothetical protein	0.0465	0.0264	0.3621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.029	0.0151	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0656	0.0388	0.4445
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0689	0.0408	0.4784
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0844	0.0509	0.0399
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0235	0.0115	0.0331
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0304	0.016	0.0728
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.029	0.0151	0.0583
Leishmania major	hypothetical protein, conserved	0.5655	0.3619	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0656	0.0388	0.1118
Echinococcus multilocularis	Zinc finger, PHD finger	0.029	0.0151	0.0036
Leishmania major	phosphatidylinositol kinase, putative	0.0235	0.0115	0.0317
Loa Loa (eye worm)	phosphatidylinositol 3	0.1183	0.0728	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0844	0.0509	0.0399
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0235	0.0115	0.1577
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1163	0.0715	0.9782
Onchocerca volvulus		0.0235	0.0115	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1174	0.0722	0.9895
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1171	0.072	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1174	0.0722	0.9912
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0186	0.0083	0.1124
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.029	0.0151	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.029	0.0151	0.059
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.029	0.0151	0.0036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0658	0.0389	0.4465
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1183	0.0728	0.21
Leishmania major	hypothetical protein, unknown function	0.0235	0.0115	0.0317
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1183	0.0728	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.029	0.0151	0.2068
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0115	0.1577
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0676	0.04	0.4654
Loa Loa (eye worm)	hypothetical protein	0.0495	0.0283	0.3888
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0235	0.0115	0.0331
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0656	0.0388	0.0276
Brugia malayi	FAT domain containing protein	0.0495	0.0283	0.3813
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0739	0.0441	0.6058
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1183	0.0728	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1183	0.0728	0.21
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0658	0.0389	0.1121
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1205	0.0743	0.2141
Loa Loa (eye worm)	hypothetical protein	0.0729	0.0435	0.597
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0679	0.0402	0.468
Loa Loa (eye worm)	phosphatidylinositol 3	0.0124	0.0044	0.0598
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0495	0.0283	0.017
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0235	0.0115	0.1547
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0424	0.0237	0.1992
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.025	0.0125	0.0361
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0359	0.0195	0.2681
Loa Loa (eye worm)	phosphatidylinositol 3	0.0235	0.0115	0.1577
Giardia lamblia	GTOR	0.1183	0.0728	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0728	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1174	0.0722	0.1995
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0658	0.0389	0.1121
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1183	0.0728	0.0621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0668	0.0395	0.4567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1174	0.0722	0.9895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1174	0.0722	0.9895
Loa Loa (eye worm)	phosphatidylinositol 3	0.0235	0.0115	0.1577
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0235	0.0115	0.0331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0672	0.0398	0.4611
Loa Loa (eye worm)	hypothetical protein	0.0193	0.0088	0.1212
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1183	0.0728	0.2012
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0495	0.0283	0.017
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0658	0.0389	0.4465
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0359	0.0195	0.131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0552	0.032	0.3349
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0668	0.0395	0.4567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0728	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1174	0.0722	0.9895
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0465	0.0264	0.0151
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.029	0.0151	0.0434
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Loa Loa (eye worm)	phosphatidylinositol 3	0.0235	0.0115	0.1577
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0359	0.0195	0.0563
Entamoeba histolytica	hypothetical protein	0.0589	0.0344	0.3737
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0465	0.0264	0.3551
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1163	0.0715	0.1975
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0254	0.0128	0.1753
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0656	0.0388	0.4344
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0658	0.0389	0.4465
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.029	0.0151	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1183	0.0728	1
Trichomonas vaginalis	conserved hypothetical protein	0.0495	0.0283	0.2743
Onchocerca volvulus		0.0235	0.0115	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0195	0.131
Loa Loa (eye worm)	hypothetical protein	0.0438	0.0246	0.3379
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.5525	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0729	0.0435	0.5216
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1151	0.0707	0.9714
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1183	0.0728	0.9808
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0359	0.0195	0.131
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0672	0.0398	0.5357
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0359	0.0195	0.263
Echinococcus granulosus	serine protein kinase ATM	0.0672	0.0398	0.0286
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1183	0.0728	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0244	0.0121	0.0104
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0844	0.0509	0.628
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1205	0.0743	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0672	0.0398	0.1147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Loa Loa (eye worm)	cytochrome P450 family protein	0.012	0.0041	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0422	0.0236	0.1972
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0235	0.0115	0.1547
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.029	0.0151	0.059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1161	0.0714	0.9765
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0656	0.0388	0.5219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Leishmania major	phosphatidylinositol 3-kinase, putative	0.029	0.0151	0.0416
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0752	0.0449	0.5451
Loa Loa (eye worm)	hypothetical protein	0.0656	0.0388	0.5321
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0589	0.0344	0.3737
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0729	0.0435	0.5285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.029	0.0151	0.0583
Mycobacterium leprae	conserved hypothetical protein	0.0235	0.0115	0.5
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0465	0.0264	0.0151
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1151	0.0707	0.9661
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0359	0.0195	0.128
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1151	0.0707	0.9661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0676	0.04	0.4654
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1205	0.0743	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.029	0.0151	0.0583
Trypanosoma cruzi	hypothetical protein, conserved	0.542	0.3468	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.029	0.0151	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1151	0.0707	0.9661
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1205	0.0743	0.0635
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.029	0.0151	0.0036
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.029	0.0151	0.0569
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.029	0.0151	0.2029
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1183	0.0728	0.9773
Leishmania major	phosphatidylinositol kinase related protein, putative	0.025	0.0125	0.0346
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1183	0.0728	1
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.029	0.0151	0.0416
Loa Loa (eye worm)	phosphatidylinositol 3	0.1163	0.0715	0.9817
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0438	0.0246	0.071
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0235	0.0115	0.1577
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0483	0.0276	0.2622
Echinococcus multilocularis	serine protein kinase ATM	0.0672	0.0398	0.0286
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0235	0.0115	0.0331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0676	0.04	0.4654
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0235	0.0115	0.1577
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1205	0.0743	0.2141
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0359	0.0195	0.131
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0235	0.0115	0.5
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.029	0.0151	0.0434
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1171	0.072	0.9869
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0656	0.0388	0.0276
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1174	0.0722	0.9895
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0672	0.0398	0.5461
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1151	0.0707	0.1955
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0359	0.0195	0.131
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1183	0.0728	0.2012
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.029	0.0151	0.0583
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1164	0.0716	0.9791
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0658	0.0389	0.5236

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 1.99 %	Displacement of fluormone PPAR-green from N-terminal His-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assay	ChEMBL.	21030263

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

ChEMBL: CHEMBL1629974

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1464778