TDR Targets

Basic information

Technical information

TDR Targets ID: 842071
Name: 4-methyl-3-nitro-N',N'-di(phenyl)benzohydrazi de
MW: 347.367 | Formula: C20H17N3O3
H donors: 1 H acceptors: 3 LogP: 4.96 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(c(c1)[N+](=O)[O-])C)NN(c1ccccc1)c1ccccc1
InChi: 1S/C20H17N3O3/c1-15-12-13-16(14-19(15)23(25)26)20(24)21-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14H,1H3,(H,21,24)
InChiKey: ACUSYWFGIUAPIN-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

Oprea1_068769
ZINC00255706
STK023324
BIM-0018703.P001
CBMicro_018776

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
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.0029	0.0115	0.0115
Echinococcus multilocularis	para nitrobenzyl esterase	0.007	0.1159	0.1056
Plasmodium vivax	basic transcription factor 3b, putative	0.0038	0.0345	1
Loa Loa (eye worm)	carboxylesterase	0.007	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Toxoplasma gondii	NAC domain-containing protein	0.0038	0.0345	1
Loa Loa (eye worm)	animal heme peroxidase	0.0029	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Loa Loa (eye worm)	ICD-1 protein	0.0038	0.0345	0.0345
Echinococcus multilocularis	acetylcholinesterase	0.0412	1	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.007	0.1159	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0764	0.0764
Echinococcus granulosus	para nitrobenzyl esterase	0.007	0.1159	0.1056
Loa Loa (eye worm)	animal heme peroxidase	0.0029	0.0122	0.0122
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0648	0.0648
Trichomonas vaginalis	spcc417.12 protein, putative	0.007	0.1159	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Mycobacterium ulcerans	carboxylesterase, LipT	0.007	0.1159	1
Echinococcus multilocularis	transcription factor btf3	0.0038	0.0345	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Brugia malayi	Carboxylesterase family protein	0.007	0.1159	0.1159
Onchocerca volvulus		0.007	0.1159	1
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0367	0.884	0.884
Brugia malayi	Peroxidasin	0.0029	0.0122	0.0122
Brugia malayi	Animal haem peroxidase family protein	0.0029	0.0122	0.0122
Echinococcus granulosus	geminin	0.0366	0.8819	0.8805
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0357	0.0245
Brugia malayi	Carboxylesterase family protein	0.007	0.1159	0.1159
Entamoeba histolytica	hypothetical protein	0.0039	0.0357	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.007	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0648	0.054
Echinococcus granulosus	acetylcholinesterase	0.0412	1	1
Echinococcus multilocularis	neuroligin	0.007	0.1159	0.1056
Schistosoma mansoni	hypothetical protein	0.0037	0.032	0.032
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.007	0.1159	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0764	0.0764
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0648	0.0648
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.007	0.1159	0.1056
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Echinococcus granulosus	BC026374 protein S09 family	0.007	0.1159	0.1056
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0648	0.054
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0357	0.0357
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.005	0.0648	0.054
Echinococcus multilocularis	acetylcholinesterase	0.0412	1	1
Echinococcus granulosus	acetylcholinesterase	0.0412	1	1
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0367	0.884	0.884
Schistosoma mansoni	gliotactin	0.007	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Loa Loa (eye worm)	animal heme peroxidase	0.0029	0.0122	0.0122
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0764	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0037	0.032	0.032
Schistosoma mansoni	BC026374 protein (S09 family)	0.007	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.1159	0.1159
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0357	0.0245
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Brugia malayi	Animal haem peroxidase family protein	0.0029	0.0122	0.0122
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.005	0.0648	0.0648
Entamoeba histolytica	hypothetical protein	0.0039	0.0357	1
Loa Loa (eye worm)	blistered cuticle protein 3	0.0029	0.0122	0.0122
Schistosoma mansoni	peroxidasin	0.0029	0.0122	0.0122
Mycobacterium tuberculosis	Carboxylesterase LipT	0.007	0.1159	0.5
Trypanosoma cruzi	transcription factor btf3, putative	0.0038	0.0345	1
Brugia malayi	Animal haem peroxidase family protein	0.0029	0.0122	0.0122
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.1159	0.1159
Echinococcus granulosus	peroxidasin	0.0029	0.0122	0.0008
Echinococcus multilocularis	geminin	0.0366	0.8819	0.8805
Echinococcus multilocularis	BC026374 protein (S09 family)	0.007	0.1159	0.1056
Trypanosoma cruzi	transcription factor btf3, putative	0.0038	0.0345	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0367	0.884	0.8827
Loa Loa (eye worm)	carboxylesterase	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Leishmania major	basic transcription factor 3a, putative	0.0038	0.0345	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0764	0.0764
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Brugia malayi	Carboxylesterase family protein	0.007	0.1159	0.1159
Echinococcus granulosus	carboxylesterase 5A	0.0412	1	1
Schistosoma mansoni	peroxidasin	0.0029	0.0122	0.0122
Entamoeba histolytica	hypothetical protein	0.0038	0.0345	0.9507
Plasmodium falciparum	basic transcription factor 3b, putative	0.0038	0.0345	1
Loa Loa (eye worm)	animal heme peroxidase	0.0029	0.0122	0.0122
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0412	1	1
Schistosoma mansoni	hypothetical protein	0.0366	0.8819	0.8819
Brugia malayi	Blistered cuticle protein 3	0.0029	0.0122	0.0122
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.032	0.032
Brugia malayi	Animal haem peroxidase family protein	0.0029	0.0122	0.0122
Echinococcus granulosus	transcription factor btf3	0.0038	0.0345	0.0233
Loa Loa (eye worm)	acetylcholinesterase 1	0.0412	1	1
Schistosoma mansoni	acetylcholinesterase	0.007	0.1159	0.1159
Trypanosoma brucei	transcription factor BTF3, putative	0.0038	0.0345	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.007	0.1159	1
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Brugia malayi	hypothetical protein	0.0029	0.0122	0.0122
Brugia malayi	Carboxylesterase family protein	0.0412	1	1
Onchocerca volvulus		0.007	0.1159	1
Echinococcus granulosus	neuroligin	0.007	0.1159	0.1056
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.007	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0412	1	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0367	0.884	0.8827
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.005	0.0648	0.0648
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.005	0.0648	0.054
Echinococcus multilocularis	peroxidasin	0.0029	0.0122	0.0008
Entamoeba histolytica	transcription factor BTF3, putative	0.0038	0.0345	0.9507
Onchocerca volvulus		0.007	0.1159	1
Brugia malayi	Animal haem peroxidase family protein	0.0029	0.0122	0.0122
Onchocerca volvulus		0.007	0.1159	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.005	0.0648	0.0648
Giardia lamblia	ABC transporter	0.0029	0.0106	0.5
Schistosoma mansoni	hypothetical protein	0.0039	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Entamoeba histolytica	hypothetical protein	0.0039	0.0357	1
Schistosoma mansoni	hypothetical protein	0.0366	0.8819	0.8819
Entamoeba histolytica	hypothetical protein	0.0039	0.0357	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.007	0.1159	0.5
Loa Loa (eye worm)	carboxylesterase	0.007	0.1159	0.1159
Schistosoma mansoni	transcription factor btf3	0.0038	0.0345	0.0345
Brugia malayi	hypothetical protein	0.0039	0.0357	0.0357
Brugia malayi	Carboxylesterase family protein	0.007	0.1159	0.1159
Onchocerca volvulus		0.007	0.1159	1
Brugia malayi	beta-NAC-like protein	0.0038	0.0345	0.0345
Brugia malayi	hypothetical protein	0.007	0.1159	0.1159
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0367	0.884	0.884
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Loa Loa (eye worm)	hypothetical protein	0.007	0.1159	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122
Echinococcus multilocularis	carboxylesterase 5A	0.0412	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0122	0.0122

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 842071