TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.173 | Formula: C15H12Cl2N2O4
H donors: 2 H acceptors: 4 LogP: 1.3 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(Cc1cc(Cl)c(c(c1)c1ccc(cc1)[N+](=O)[O-])Cl)N
InChi: 1S/C15H12Cl2N2O4/c16-12-6-8(7-13(18)15(20)21)5-11(14(12)17)9-1-3-10(4-2-9)19(22)23/h1-6,13H,7,18H2,(H,20,21)
InChiKey: VPRDDEXOIBZFER-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
Brugia malayi	TAR-binding protein	0.0123	0.3735	0.3735
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0123	0.3735	0.4812
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0051	0.1205	0.5109
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0075	0.2057	0.2651
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0025	0.0314	0.084
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Echinococcus multilocularis	protein kinase c epsilon type	0.0025	0.0314	0.084
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1674	0.2157
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Echinococcus multilocularis	nervana 2	0.0048	0.1114	0.2983
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0025	0.0314	0.084
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0511	0.0511
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0025	0.0314	0.0404
Schistosoma mansoni	hypothetical protein	0.0031	0.0511	0.1368
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0051	0.1205	0.5109
Echinococcus granulosus	nervana 2	0.0048	0.1114	0.2983
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0025	0.0314	0.0404
Echinococcus multilocularis	nervana 2	0.0048	0.1114	0.2983
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0048	0.1114	0.2983
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0511	0.0659
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0025	0.0314	0.0404
Trypanosoma cruzi	Protein kinase B	0.0051	0.1205	1
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0025	0.0314	0.084
Brugia malayi	RNA recognition motif domain containing protein	0.0123	0.3735	0.3735
Echinococcus granulosus	protein kinase c iota type	0.0025	0.0314	0.084
Echinococcus granulosus	serine:threonine protein kinase N2	0.0025	0.0314	0.084
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.0048	0.1114	0.2983
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0314	0.0404
Brugia malayi	protein kinase C II.	0.0025	0.0314	0.0314
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0511	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0097	0.2821	0.3634
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Schistosoma mansoni	atypical protein kinase C	0.0025	0.0314	0.084
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0025	0.0314	0.084
Entamoeba histolytica	protein kinase, putative	0.0075	0.2057	1
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Entamoeba histolytica	protein kinase, putative	0.0073	0.1986	0.9589
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0111	0.3292	0.8814
Echinococcus granulosus	serine threonine protein kinase nrc	0.0049	0.1133	0.3033
Toxoplasma gondii	AGC kinase	0.0073	0.1986	1
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0049	0.1133	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0025	0.0314	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0239	0.7762	1
Trichomonas vaginalis	AGC family protein kinase	0.0025	0.0314	0.0107
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Brugia malayi	Protein kinase domain containing protein	0.0025	0.0314	0.0314
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0025	0.0314	0.084
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0075	0.2057	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0025	0.0314	0.084
Brugia malayi	latrophilin 2 splice variant baaae	0.0066	0.1752	0.1752
Echinococcus granulosus	NDR protein kinase	0.0025	0.0314	0.084
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0016	0	0.5
Schistosoma mansoni	serine/threonine-protein kinase	0.0051	0.1205	0.3225
Schistosoma mansoni	serine/threonine kinase	0.0025	0.0314	0.084
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0511	0.1368
Brugia malayi	Protein kinase domain containing protein	0.0025	0.0314	0.0314
Schistosoma mansoni	hypothetical protein	0.0031	0.0511	0.1368
Echinococcus multilocularis	protein kinase c iota type	0.0025	0.0314	0.084
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3735	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0051	0.1205	0.3225
Echinococcus multilocularis	rac serine:threonine kinase	0.0051	0.1205	0.3225
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0049	0.1133	0.3033
Echinococcus multilocularis	tar DNA binding protein	0.0123	0.3735	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.3912	0.504
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0049	0.1133	0.3033
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.2821	0.3634
Echinococcus granulosus	protein kinase C gamma type	0.0025	0.0314	0.084
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0511	0.0511
Loa Loa (eye worm)	RNA binding protein	0.0123	0.3735	0.4812
Entamoeba histolytica	protein kinase, putative	0.0075	0.2057	1
Brugia malayi	RNA binding protein	0.0123	0.3735	0.3735
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.2821	0.2821
Entamoeba histolytica	protein kinase 2, putative	0.0049	0.1133	0.4697
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0025	0.0314	0.084
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0511	0.1368
Loa Loa (eye worm)	transcription factor SMAD2	0.0115	0.3455	0.4451
Echinococcus granulosus	tar DNA binding protein	0.0123	0.3735	1
Brugia malayi	Hr1 repeat family protein	0.0025	0.0314	0.0314
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0051	0.1205	1
Echinococcus multilocularis	serine threonine protein kinase	0.0025	0.0314	0.084
Echinococcus granulosus	nervana 2	0.0048	0.1114	0.2983
Trichomonas vaginalis	AGC family protein kinase	0.0025	0.0314	0.0107
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0025	0.0314	0.084
Echinococcus granulosus	serine/threonine protein kinase	0.0051	0.1205	0.3225
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0025	0.0314	0.0404
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Trichomonas vaginalis	AGC family protein kinase	0.0025	0.0314	0.0107
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0049	0.1133	0.9405
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0049	0.1133	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0511	0.1368
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0048	0.1114	0.2983
Trichomonas vaginalis	AGC family protein kinase	0.0027	0.0386	0.0514
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0511	0.1368
Trichomonas vaginalis	AGC family protein kinase	0.0075	0.2057	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0073	0.1986	0.2558
Brugia malayi	MH2 domain containing protein	0.0115	0.3455	0.3455
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3735	1
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3735	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1752	0.2257
Brugia malayi	Protein kinase domain containing protein	0.0075	0.2057	0.2057
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0016	0	0.5
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0025	0.0314	0.084
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0511	0.1368
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0511	0.0659
Schistosoma mansoni	hypothetical protein	0.0031	0.0511	0.1368
Loa Loa (eye worm)	TAR-binding protein	0.0123	0.3735	0.4812
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3735	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0073	0.1986	0.1986
Echinococcus granulosus	Glutaredoxin protein 5	0.0048	0.1114	0.2983
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0511	0.1368
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0025	0.0314	0.084
Echinococcus granulosus	protein kinase c epsilon type	0.0025	0.0314	0.084
Giardia lamblia	Kinase, AGC PKA	0.0049	0.1133	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0123	0.3735	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0115	0.3455	0.4451
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.2821	0.2821
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0025	0.0314	0.0404
Schistosoma mansoni	serine/threonine protein kinase	0.0025	0.0314	0.084
Schistosoma mansoni	hypothetical protein	0.0066	0.1752	0.469
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0025	0.0314	0.084

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Displacement of [3H]SYM2081 from rat recombinant iGluR7A expressed in baculovirus-infected insect Sf9 cells	ChEMBL.	19656686
Activity (binding)		Displacement of [3H]SYM2081 from rat recombinant iGluR6 expressed in baculovirus-infected insect Sf9 cells	ChEMBL.	19656686
Activity (binding)		Displacement of [3H]CGP39653 from NMDA receptor in rat cortical membrane	ChEMBL.	19656686
Ki (binding)	> 100 uM	Displacement of [3H]SYM2081 from rat recombinant iGluR5-1b expressed in baculovirus-infected insect Sf9 cells	ChEMBL.	19656686

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: CHEMBL595783

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1095569