TDR Targets

Basic information

Technical information

TDR Targets ID: 648899
Name: N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-y l]methylidene]hydroxylamine
MW: 303.315 | Formula: C18H13N3O2
H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C/c1cn(nc1c1cc2c(o1)cccc2)c1ccccc1
InChi: 1S/C18H13N3O2/c22-19-11-14-12-21(15-7-2-1-3-8-15)20-18(14)17-10-13-6-4-5-9-16(13)23-17/h1-12,22H/b19-11+
InChiKey: DLGAKBBWXJCOMD-YBFXNURJSA-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

(NE)-N-[[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
3-(benzofuran-2-yl)-1-phenyl-pyrazole-4-carbaldehyde oxime
3-(2-benzofuranyl)-1-phenyl-4-pyrazolecarboxaldehyde oxime
N-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]hydroxylamine
(NE)-N-[[3-(1-benzofuran-2-yl)-1-phenyl-pyrazol-4-yl]methylidene]hydroxylamine

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
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0036	0.0553	0.0553
Leishmania major	heat shock protein 83-1	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.0147	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.2458	0.2458
Echinococcus granulosus	endoplasmin	0.0117	0.7443	0.7443
Leishmania major	heat shock protein 83-1	0.0147	1	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0117	0.7443	0.7443
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0036	0.0553	0.0553
Trypanosoma cruzi	heat shock protein 85, putative	0.0147	1	1
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.2458	0.3303
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0036	0.0553	0.0743
Trichomonas vaginalis	heat shock protein, putative	0.0117	0.7443	0.7443
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.006	0.2588	0.2588
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0117	0.7443	1
Entamoeba histolytica	90 kDa heat shock protein, putative	0.006	0.2588	0.2588
Trypanosoma cruzi	heat shock protein 85, putative	0.0147	1	1
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0117	0.7443	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Schistosoma mansoni	heat shock protein	0.006	0.2588	0.2588
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Plasmodium falciparum	heat shock protein 90, putative	0.006	0.2588	0.2588
Plasmodium falciparum	heat shock protein 90, putative	0.006	0.2588	0.2588
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2458	0.2458
Echinococcus multilocularis	endoplasmin	0.0117	0.7443	0.7443
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.2458	0.2458
Echinococcus multilocularis	heat shock protein 90	0.0117	0.7443	0.7443
Plasmodium vivax	heat shock protein 86, putative	0.0147	1	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0117	0.7443	1
Toxoplasma gondii	exonuclease III APE	0.0036	0.0553	0.0553
Echinococcus multilocularis	heat shock protein	0.0147	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0036	0.0553	0.0553
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0117	0.7443	0.7443
Trypanosoma cruzi	Heat shock protein 83, putative	0.0147	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0036	0.0553	0.0553
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2458	0.3303
Trypanosoma brucei	heat shock protein 84, putative	0.006	0.2588	0.2588
Trypanosoma cruzi	heat shock protein 90, putative	0.0117	0.7443	0.7443
Trichomonas vaginalis	endoplasmin, putative	0.009	0.5145	0.5145
Leishmania major	heat shock protein 83-1	0.0147	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.0147	1	1
Loa Loa (eye worm)	heat shock protein 75	0.006	0.2588	0.2588
Trypanosoma cruzi	heat shock protein 90, putative	0.0147	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0036	0.0553	0.0553
Schistosoma mansoni	ap endonuclease	0.0036	0.0553	0.0553
Trichomonas vaginalis	heat shock protein, putative	0.0147	1	1
Plasmodium falciparum	endoplasmin, putative	0.009	0.5145	0.5145
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0036	0.0553	0.0743
Loa Loa (eye worm)	heat shock protein 90	0.0147	1	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.006	0.2588	0.2588
Trichomonas vaginalis	heat shock protein, putative	0.0117	0.7443	0.7443
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2458	0.3303
Entamoeba histolytica	heat shock protein 90, putative	0.0147	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0036	0.0553	0.0553
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0036	0.0553	0.0553
Trichomonas vaginalis	heat shock protein, putative	0.009	0.5145	0.5145
Leishmania major	heat shock protein 83-1	0.0147	1	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.2458	0.2458
Plasmodium vivax	heat shock protein 90, putative	0.006	0.2588	0.2588
Toxoplasma gondii	heat shock protein HSP90	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Schistosoma mansoni	endoplasmin	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.003	0	0.5
Treponema pallidum	heat shock protein 90	0.0117	0.7443	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0036	0.0553	0.0553
Echinococcus multilocularis	heat shock protein 90	0.0147	1	1
Brugia malayi	heat shock protein 90	0.0147	1	1
Echinococcus granulosus	heat shock protein	0.0147	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0147	1	1
Schistosoma mansoni	heat shock protein	0.0147	1	1
Echinococcus granulosus	heat shock protein 90	0.0117	0.7443	0.7443
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.2458	0.2458
Mycobacterium ulcerans	heat shock protein 90	0.0117	0.7443	1
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Leishmania major	heat shock protein, putative	0.006	0.2588	0.2588
Plasmodium vivax	endoplasmin, putative	0.0147	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0117	0.7443	0.7443
Leishmania major	heat shock protein 83-1	0.0147	1	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.006	0.2588	1
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.003	0	0.5
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0036	0.0553	0.0553
Trichomonas vaginalis	heat shock protein, putative	0.0117	0.7443	0.7443
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Brugia malayi	Hsp90 protein	0.006	0.2588	0.2588
Trypanosoma brucei	heat shock protein 90, putative	0.0147	1	1
Trypanosoma cruzi	heat shock protein, putative	0.006	0.2588	0.2588
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0036	0.0553	0.0553
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Schistosoma mansoni	ap endonuclease	0.0036	0.0553	0.0553
Trichomonas vaginalis	heat shock protein, putative	0.006	0.2588	0.2588
Schistosoma mansoni	heat shock protein	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0036	0.0553	0.0553
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0036	0.0553	0.0553
Echinococcus granulosus	heat shock protein 90	0.0147	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0117	0.7443	0.7443
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.2458	0.2458
Plasmodium falciparum	heat shock protein 90	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.003	0	0.5
Leishmania major	heat shock protein 83-1	0.0147	1	1
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Toxoplasma gondii	heat shock protein 75, putative	0.006	0.2588	0.2588
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0036	0.0553	0.0743
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0036	0.0553	0.0553
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0036	0.0553	0.0743
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.2458	0.3303
Brugia malayi	exodeoxyribonuclease III family protein	0.0036	0.0553	0.0553
Plasmodium vivax	heat shock protein, putative	0.006	0.2588	0.2588
Toxoplasma gondii	Hsp90 domain-containing protein	0.006	0.2588	0.2588
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Leishmania major	heat shock protein 83-1	0.0147	1	1
Giardia lamblia	Grp94/Hsp90	0.0117	0.7443	0.7443
Loa Loa (eye worm)	endoplasmin	0.0147	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0147	1	1
Schistosoma mansoni	endoplasmin	0.0147	1	1
Trypanosoma brucei	heat shock protein, putative	0.0147	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0087	0.4855	0.4855

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 648899