TDR Targets

Basic information

Technical information

TDR Targets ID: 722059
Name: 1-(2-bromo-4-methylphenyl)-3-(4-nitrophenyl)t hiourea
MW: 366.233 | Formula: C14H12BrN3O2S
H donors: 2 H acceptors: 2 LogP: 3.97 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: S=C(Nc1ccc(cc1Br)C)Nc1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C14H12BrN3O2S/c1-9-2-7-13(12(15)8-9)17-14(21)16-10-3-5-11(6-4-10)18(19)20/h2-8H,1H3,(H2,16,17,21)
InChiKey: SQPRKMVWFJCENG-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

1-(2-bromo-4-methyl-phenyl)-3-(4-nitrophenyl)thiourea
ZINC04999108
IVK/1259300

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	PHD-finger family protein	0.0024	0.0149	0.0178
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0357	0.4447	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0367	0.1408
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0134	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0134	1
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0215	0.2605	0.579
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.012	0.012
Schistosoma mansoni	bromodomain containing protein	0.0062	0.063	0.242
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1709	0.3773
Schistosoma mansoni	hypothetical protein	0.004	0.0348	0.1335
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0134	0.019
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0058	0.0586	0.0586
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0134	1
Echinococcus multilocularis	zinc finger protein	0.0019	0.0083	0.0083
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0134	0.0239
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0134	0.0144
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0357	0.4447	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0134	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0134	1
Echinococcus granulosus	expressed conserved protein	0.009	0.0996	0.3825
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0051	0.0196
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0357	0.4447	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.1601	0.6145
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0051	0.0196
Brugia malayi	Muscleblind-like protein	0.0145	0.1709	0.3744
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1709	0.3773
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0367	0.0718
Schistosoma mansoni	hypothetical protein	0.004	0.0348	0.1335
Loa Loa (eye worm)	hypothetical protein	0.005	0.0486	0.0989
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.1071	1
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0367	0.5
Leishmania major	hypothetical protein, conserved	0.0028	0.02	0.0387
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1071	0.2321
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0059	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0134	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.012	0.046
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.02	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0134	0.019
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.1071	0.4112
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.02	1
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0357	0.4447	1
Leishmania major	C-8 sterol isomerase-like protein	0.0357	0.4447	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0134	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.012	0.046
Echinococcus multilocularis	muscleblind protein	0.0145	0.1709	0.1709
Schistosoma mansoni	patched 1	0.0041	0.0367	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0019
Loa Loa (eye worm)	hypothetical protein	0.004	0.0348	0.0675
Loa Loa (eye worm)	hypothetical protein	0.0183	0.2193	0.4873
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0134	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0058	0.0586	0.2248
Schistosoma mansoni	hypothetical protein	0.004	0.0348	0.1335
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.0096	0.0102
Schistosoma mansoni	hypothetical protein	0.0015	0.0029	0.0111
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.1071	0.1071
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.02	1
Echinococcus granulosus	zinc finger protein	0.0019	0.0083	0.0317
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0051	0.0196
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.02	0.0387
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.1071	0.2285
Echinococcus granulosus	muscleblind protein	0.0145	0.1709	0.6562
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.1709	0.1709
Echinococcus granulosus	vesicular acetylcholine transporter	0.0215	0.2605	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0134	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0051	0.0051
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0134	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0019
Brugia malayi	CHE-14 protein	0.0041	0.0367	0.0675
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0367	0.0718
Schistosoma mansoni	zinc finger protein	0.0015	0.0029	0.0111
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.02	0.0387
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0134	0.0239
Schistosoma mansoni	hypothetical protein	0.002	0.0096	0.0368
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0367	0.1408
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.1601	0.1601
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.109	0.4185
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0367	0.0367
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0051	0.0196
Brugia malayi	hypothetical protein	0.0028	0.02	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0372	0.073
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0059	0.139
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0059	0.0019
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.02	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0134	0.019
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0134	0.0144
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0134	0.0144
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0288	0.0288
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.02	0.0387
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0215	0.2605	0.2605
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0134	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0318	0.0608
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.0059	0.0017
Echinococcus multilocularis	protein patched	0.0041	0.0367	0.0367
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0134	1
Brugia malayi	Bromodomain containing protein	0.0037	0.0317	0.0562
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0215	0.2605	0.581
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0288	0.1104
Schistosoma mansoni	hypothetical protein	0.004	0.0348	0.1335
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0051	0.0196
Echinococcus multilocularis	expressed conserved protein	0.009	0.0996	0.0996
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0051	0.0196
Schistosoma mansoni	vesicular acetylcholine transporter	0.0215	0.2605	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.02	0.0339
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0215	0.2605	1
Schistosoma mansoni	zinc finger protein	0.0019	0.0083	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0724	0.153
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0134	0.0239
Brugia malayi	Bromodomain containing protein	0.0073	0.0777	0.1613

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 722059