TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 391.807 | Formula: C21H14ClN3O3
H donors: 1 H acceptors: 3 LogP: 4.75 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)C1=Nc2ccccc2N=C(C1)c1ccc(cc1)[N+](=O)[O-])O
InChi: 1S/C21H14ClN3O3/c22-14-7-10-21(26)16(11-14)20-12-19(13-5-8-15(9-6-13)25(27)28)23-17-3-1-2-4-18(17)24-20/h1-11,26H,12H2
InChiKey: AETZLKQZZKUEGA-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
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0076	0.028	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0578	0.0923
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0183	1
Echinococcus granulosus	jumonji domain containing 1A	0.0048	0.0085	0.0085
Loa Loa (eye worm)	CHromoDomain protein family member	0.0042	0.0042	0.0066
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0488	0.3211	0.3211
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0048	0.0085	0.084
Loa Loa (eye worm)	hypothetical protein	0.0124	0.0624	0.0997
Echinococcus multilocularis	lysine specific demethylase 6a	0.0048	0.0085	0.0085
Echinococcus granulosus	zinc finger protein	0.006	0.0169	0.0169
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0513	0.339	1
Brugia malayi	SET domain containing protein	0.004	0.0024	0.0038
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.5
Loa Loa (eye worm)	hypothetical protein	0.0256	0.1558	0.2491
Trichomonas vaginalis	conserved hypothetical protein	0.0124	0.0624	0.1274
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0219	0.1299	0.2076
Schistosoma mansoni	zinc finger protein	0.0047	0.0076	0.0076
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.028	0.0827
Echinococcus granulosus	Chromobox protein 3	0.0036	0.000000027205	0.000000027205
Echinococcus multilocularis	jumonji domain containing protein	0.0207	0.1217	0.1217
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0076	0.028	0.0827
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0048	0.0085	0.0135
Plasmodium vivax	JmjC domain containing protein	0.0048	0.0085	0.025
Trichomonas vaginalis	chromobox protein, putative	0.0221	0.1314	0.2684
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0513	0.339	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.5
Plasmodium vivax	SET domain protein, putative	0.0091	0.0392	0.1157
Echinococcus multilocularis	chromobox protein 1	0.0221	0.1314	0.1314
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0057	0.0144	0.6431
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0091	0.0392	0.1157
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0052	0.0114	0.0114
Schistosoma mansoni	microtubule-associated protein tau	0.1444	1	1
Echinococcus multilocularis	Chromobox protein 3	0.0036	0.000000027205	0.000000027205
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0149	0.0802	0.0802
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.5
Trypanosoma cruzi	major cysteine proteinase, putative	0.0049	0.0088	0.1196
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0183	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0128	0.0649	0.0649
Trypanosoma cruzi	cruzipain precursor, putative	0.0062	0.0183	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Plasmodium falciparum	macrophage migration inhibitory factor	0.0513	0.339	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0186	0.1066	0.1704
Brugia malayi	Bromodomain containing protein	0.0156	0.0853	0.1364
Plasmodium vivax	hypothetical protein, conserved	0.0149	0.0802	0.2365
Echinococcus granulosus	chromobox protein 1	0.0221	0.1314	0.1314
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0085	0.0135
Echinococcus multilocularis	lysine specific demethylase 5A	0.018	0.1025	0.1025
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0124	0.0624	0.0997
Plasmodium falciparum	phd finger protein, putative	0.0149	0.0802	0.2365
Brugia malayi	hypothetical protein	0.0917	0.6257	1
Trichomonas vaginalis	chromobox protein, putative	0.0133	0.0691	0.1411
Loa Loa (eye worm)	MH2 domain-containing protein	0.0356	0.2274	0.3634
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.005	0.0095	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0091	0.0392	0.0392
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0183	0.1042	0.1042
Loa Loa (eye worm)	PHD-finger family protein	0.0063	0.0192	0.0306
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0183	0.1042	0.1042
Schistosoma mansoni	protein phosphatase 2C	0.0048	0.0085	0.0085
Brugia malayi	F/Y-rich N-terminus family protein	0.0058	0.0154	0.0247
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0054	0.0126	0.0126
Brugia malayi	PHD-finger family protein	0.0149	0.0802	0.1282
Schistosoma mansoni	hypothetical protein	0.0047	0.0076	0.0076
Echinococcus granulosus	chromobox protein 1	0.0221	0.1314	0.1314
Toxoplasma gondii	PHD-finger domain-containing protein	0.0149	0.0802	0.2365
Loa Loa (eye worm)	hypothetical protein	0.0076	0.028	0.0448
Schistosoma mansoni	peptidase Clp (S14 family)	0.0076	0.028	0.028
Echinococcus multilocularis	chromobox protein 1	0.0221	0.1314	0.1314
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0144	0.0763	0.0763
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0052	0.0113	0.0113
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0049	0.0089	0.1243
Brugia malayi	Pre-SET motif family protein	0.0091	0.0392	0.0627
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0144	0.0763	0.0763
Onchocerca volvulus		0.0725	0.4897	0.7826
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Echinococcus granulosus	peregrin	0.0156	0.0853	0.0853
Loa Loa (eye worm)	hypothetical protein	0.0917	0.6257	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0513	0.339	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0052	0.0114	0.0114
Brugia malayi	PHD-finger family protein	0.0055	0.013	0.0209
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0048	0.0085	0.025
Trichomonas vaginalis	set domain proteins, putative	0.0725	0.4897	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Echinococcus multilocularis	peregrin	0.0156	0.0853	0.0853
Brugia malayi	Probable ClpP-like protease	0.0076	0.028	0.0448
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0069	0.0233	0.0233
Brugia malayi	AF-10 protein	0.0049	0.0089	0.0142
Echinococcus multilocularis	zinc finger protein	0.006	0.0169	0.0169
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0186	0.1066	0.1066
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0488	0.3211	0.3211
Echinococcus multilocularis	peptidase Clp (S14 family)	0.005	0.0095	0.0095
Loa Loa (eye worm)	transcription factor SMAD2	0.0356	0.2274	0.3634
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.5
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0219	0.1299	0.2076
Schistosoma mansoni	hypothetical protein	0.0049	0.0089	0.0089
Onchocerca volvulus		0.0917	0.6257	1
Leishmania major	cathepsin L-like protease	0.0062	0.0183	0.0323
Leishmania major	cathepsin L-like protease	0.0062	0.0183	0.0323
Echinococcus granulosus	phd:f box containing protein	0.0048	0.0085	0.0085
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0133	0.0691	0.1104
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.005	0.0095	0.5
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0763	0.122
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0042	0.0042	0.0042
Brugia malayi	jmjC domain containing protein	0.0488	0.3211	0.5133
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.011	0.0525	0.0525
Loa Loa (eye worm)	bromodomain containing protein	0.0054	0.0127	0.0203
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Echinococcus granulosus	jumonji domain containing protein	0.0207	0.1217	0.1217
Toxoplasma gondii	PHD-finger domain-containing protein	0.0149	0.0802	0.2365
Echinococcus multilocularis	JmjC domain containing protein 4	0.0048	0.0085	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0629	0.1005
Echinococcus granulosus	fetal alzheimer antigen falz	0.0069	0.0233	0.0233
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.5
Schistosoma mansoni	hypothetical protein	0.0063	0.0192	0.0192
Brugia malayi	jmjC domain containing protein	0.0048	0.0085	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0671	0.1072
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0076	0.028	0.028
Leishmania major	cathepsin L-like protease	0.0062	0.0183	0.0323
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0054	0.0126	0.0126
Brugia malayi	Bromodomain containing protein	0.0117	0.0576	0.0921
Brugia malayi	Bromodomain containing protein	0.023	0.1375	0.2197
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0048	0.0085	0.025
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0048	0.0085	0.0085
Onchocerca volvulus		0.0128	0.0649	0.1038
Echinococcus granulosus	PHD finger protein rhinoceros	0.0149	0.0802	0.0802
Brugia malayi	chromobox protein homolog 3	0.0124	0.0624	0.0997
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0149	0.0802	0.0802
Loa Loa (eye worm)	jmjC domain-containing protein	0.0048	0.0085	0.0135
Brugia malayi	jmjC domain containing protein	0.0048	0.0085	0.0135
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0088	0.0368	0.0368
Brugia malayi	jmjC domain containing protein	0.0048	0.0085	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1281	0.2048
Schistosoma mansoni	jumonji domain containing protein	0.0388	0.2498	0.2498
Schistosoma mansoni	bromodomain containing protein	0.0194	0.112	0.112
Echinococcus granulosus	JmjC domain containing protein 4	0.0048	0.0085	0.0085
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0637	0.4271	0.6826
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0049	0.0089	0.0262
Loa Loa (eye worm)	hypothetical protein	0.0055	0.013	0.0209
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0091	0.0392	0.0392
Schistosoma mansoni	hypothetical protein	0.0149	0.0802	0.0802
Echinococcus granulosus	histone lysine methyltransferase setb	0.0144	0.0763	0.0763
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0076	0.028	0.028
Echinococcus granulosus	lysine specific demethylase 5A	0.0186	0.1066	0.1066
Echinococcus multilocularis	phd:f box containing protein	0.0048	0.0085	0.0085
Echinococcus multilocularis	microtubule associated protein 2	0.1444	1	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0052	0.0114	0.0114
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.0049	0.0089	0.0262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Giardia lamblia	Macrophage migration inhibitory factor	0.0513	0.339	1
Onchocerca volvulus	Alhambra homolog	0.0149	0.0802	0.1282
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.0049	0.0089	0.1243
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.0367	0.0749
Echinococcus multilocularis	jumonji domain containing 1A	0.0048	0.0085	0.0085
Loa Loa (eye worm)	jmjC domain-containing protein	0.0048	0.0085	0.0135
Loa Loa (eye worm)	heterochromatin protein 1	0.0221	0.1314	0.2101
Schistosoma mansoni	chromobox protein	0.0221	0.1314	0.1314
Plasmodium vivax	hypothetical protein, conserved	0.0049	0.0089	0.0262
Trichomonas vaginalis	chromobox protein, putative	0.0221	0.1314	0.2684
Brugia malayi	CHD4 protein	0.0042	0.0042	0.0066
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0186	0.1066	0.1066
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0048	0.0085	0.084
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0513	0.339	0.6923
Brugia malayi	jmjC domain containing protein	0.0186	0.1066	0.1704
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0062	0.0183	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0049	0.0089	0.0262
Brugia malayi	MH2 domain containing protein	0.0356	0.2274	0.3634
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.011	0.0525	0.0525
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0048	0.0085	0.084
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0052	0.0114	0.0114
Schistosoma mansoni	zinc finger protein	0.006	0.0169	0.0169
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0076	0.028	0.0827
Onchocerca volvulus		0.0036	0.000000027205	0.000000043481
Trichomonas vaginalis	chromobox protein, putative	0.0133	0.0691	0.1411
Brugia malayi	jmjC domain containing protein	0.0048	0.0085	0.0135
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0076	0.028	0.0827
Trichomonas vaginalis	conserved hypothetical protein	0.0088	0.0367	0.0749
Echinococcus granulosus	lysine specific demethylase 6a	0.0048	0.0085	0.0085
Brugia malayi	Bm-MIF-1, identical	0.0513	0.339	0.5418
Leishmania major	macrophage migration inhibitory factor-like protein	0.0513	0.339	1
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0802	0.1282
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0085	0.0135
Schistosoma mansoni	phd/f-box containing protein	0.0048	0.0085	0.0085
Brugia malayi	PHD-finger family protein	0.0076	0.0285	0.0455
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0144	0.0763	0.0763
Brugia malayi	Pre-SET motif family protein	0.0637	0.4271	0.6826
Loa Loa (eye worm)	PHD-finger family protein	0.0149	0.0802	0.1282
Onchocerca volvulus		0.0097	0.0433	0.0693
Leishmania major	hypothetical protein, conserved	0.0048	0.0085	0.0027
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0513	0.339	0.5418
Leishmania major	macrophage migration inhibitory factor-like protein	0.0513	0.339	1
Schistosoma mansoni	phosphatidylserine receptor	0.0048	0.0085	0.0085
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0069	0.0233	0.0233
Echinococcus granulosus	peptidase Clp S14 family	0.005	0.0095	0.0095
Trypanosoma cruzi	cysteine peptidase, putative	0.0062	0.0183	1
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0042	0.0042	0.0042
Schistosoma mansoni	jumonji domain containing protein	0.0048	0.0085	0.0085
Loa Loa (eye worm)	jmjC domain-containing protein	0.0308	0.193	0.3084
Brugia malayi	Heterochromatin protein 1	0.0221	0.1314	0.2101
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0042	0.0042	0.0042
Schistosoma mansoni	chromobox protein	0.0221	0.1314	0.1314
Trichomonas vaginalis	conserved hypothetical protein	0.0124	0.0624	0.1274
Trichomonas vaginalis	conserved hypothetical protein	0.0513	0.339	0.6923
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0433	0.0693
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0048	0.0085	0.025

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.

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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 767272