TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 308.12 | Formula: C13H7Cl2N3O2
H donors: 0 H acceptors: 4 LogP: 2.6 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(c2c(Cl)cc(cc2Cl)C)C(=O)c2c1nccn2
InChi: 1S/C13H7Cl2N3O2/c1-6-4-7(14)11(8(15)5-6)18-12(19)9-10(13(18)20)17-3-2-16-9/h2-5H,1H3
InChiKey: HJASACHYAZPNBV-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
Onchocerca volvulus		0.0267	0.1464	0.557
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0261	0.143	0.5635
Schistosoma mansoni	lamin	0.0029	0.0113	0.1095
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0018	0.0052	0.5
Echinococcus granulosus	GPCR family 2	0.0051	0.0241	0.1652
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0038	0.0149
Schistosoma mansoni	hypothetical protein	0.0111	0.0578	0.5596
Echinococcus multilocularis	isocitrate dehydrogenase	0.0018	0.0052	0.0052
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0234	0.128	0.5044
Loa Loa (eye worm)	hypothetical protein	0.0268	0.1469	0.579
Schistosoma mansoni	60S ribosomal protein L21	0.0046	0.021	0.2031
Loa Loa (eye worm)	CAMK/CAMKL/PASK protein kinase	0.0456	0.2538	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0241	0.2336
Trichomonas vaginalis	set domain proteins, putative	0.0267	0.1464	1
Brugia malayi	Isocitrate dehydrogenase	0.0018	0.0052	0.0354
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0046	0.021	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0142	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0578	0.2278
Trypanosoma brucei	STE group serine/threonine-protein kinase, putative	0.0049	0.0227	1
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.021	0.2031
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0052	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0142	0.1372
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0259	0.1764
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0162	0.0868	0.591
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0518	0.3545
Echinococcus granulosus	intermediate filament protein	0.0029	0.0113	0.0774
Brugia malayi	hypothetical protein	0.0268	0.1469	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0142	0.1372
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0268	0.1469	0.579
Echinococcus multilocularis	lamin	0.0029	0.0113	0.0113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0518	0.5013
Loa Loa (eye worm)	hypothetical protein	0.0046	0.021	0.0827
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.01	0.0518	0.2041
Echinococcus granulosus	lamin	0.0029	0.0113	0.0774
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.0668	0.2633
Loa Loa (eye worm)	hypothetical protein	0.0266	0.1461	0.5758
Echinococcus multilocularis	lamin dm0	0.0029	0.0113	0.0113
Plasmodium vivax	SET domain protein, putative	0.0034	0.0142	1
Schistosoma mansoni	hypothetical protein	0.0191	0.1033	1
Brugia malayi	isocitrate dehydrogenase	0.0018	0.0052	0.0354
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.01	0.0518	0.3525
Echinococcus multilocularis	geminin	0.0191	0.1033	0.1033
Echinococcus granulosus	single minded 2	0.0046	0.021	0.1436
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0113	0.0446
Schistosoma mansoni	hypothetical protein	0.0051	0.0241	0.2336
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0142	0.0142
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0018	0.0052	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0142	0.1372
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0518	0.5013
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0104
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0241	0.1652
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0241	0.1643
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0052	0.0052
Schistosoma mansoni	hypothetical protein	0.0046	0.021	0.2031
Onchocerca volvulus	Huntingtin homolog	0.0268	0.1469	0.5593
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0162	0.0868	0.591
Schistosoma mansoni	lamin	0.0029	0.0113	0.1095
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0113	0.077
Brugia malayi	Pre-SET motif family protein	0.0234	0.128	0.8712
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0241	0.0951
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0241	0.1652
Echinococcus multilocularis	musashi	0.0029	0.0113	0.0113
Echinococcus multilocularis	survival motor neuron protein 1	0.0266	0.1461	0.1461
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0046	0.021	0.021
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0029	0.0029
Schistosoma mansoni	hypothetical protein	0.0054	0.0259	0.2508
Brugia malayi	intermediate filament protein	0.0029	0.0113	0.077
Schistosoma mansoni	hypothetical protein	0.0051	0.0241	0.2336
Brugia malayi	aryl hydrocarbon receptor nuclear translocator protein, putative	0.0046	0.021	0.1428
Mycobacterium leprae	Possible transporter protein	0.0046	0.021	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0142	0.0142
Onchocerca volvulus	Huntingtin homolog	0.0268	0.1469	0.5593
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0018	0.0052	0.0356
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0518	0.0518
Onchocerca volvulus		0.0456	0.2538	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0026	0.0104
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0241	0.1643
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0142	1
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0868	0.3422
Echinococcus granulosus	geminin	0.0191	0.1033	0.7071
Brugia malayi	MH2 domain containing protein	0.0126	0.0668	0.4548
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0259	0.2508
Schistosoma mansoni	hypothetical protein	0.0051	0.0241	0.2336
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0142	0.1372
Echinococcus multilocularis	voltage gated potassium channel	0.0046	0.021	0.021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.01	0.0518	0.0518
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0046	0.021	0.1428
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0018	0.0052	0.0205
Schistosoma mansoni	hypothetical protein	0.0191	0.1033	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0038	0.0258
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0241	0.0241
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0018	0.0052	0.0052
Echinococcus granulosus	voltage gated potassium channel	0.0046	0.021	0.1436
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0241	0.0951
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0162	0.0868	0.3422
Brugia malayi	hypothetical protein	0.0266	0.1461	0.9944
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.021	0.2031
Onchocerca volvulus		0.0054	0.0259	0.0602
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.021	0.2031
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0241	0.0241
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0113	0.1095
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0018	0.0052	0.5
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0018	0.0052	0.5
Onchocerca volvulus		0.0034	0.0142	0.0118
Brugia malayi	latrophilin 2 splice variant baaae	0.0111	0.0578	0.3935
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0018	0.0052	0.0504
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0029	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0113	0.0446
Echinococcus granulosus	survival motor neuron protein 1	0.0266	0.1461	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0135	0.0922
Brugia malayi	Pre-SET motif family protein	0.0034	0.0142	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0028	0.011	0.0434
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.01	0.0518	0.5013
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.021	0.2031
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0029	0.0201
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.021	0.2031
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0142	0.097
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.01	0.0518	0.3545
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0018	0.0052	0.0052
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0113	0.0446
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.0668	0.2633
Brugia malayi	follicle stimulating hormone receptor	0.0261	0.143	0.9733
Echinococcus granulosus	lamin dm0	0.0029	0.0113	0.0774

Activities

Activity type	Activity value	Assay description	Source	Reference
-logMIC (functional)	= 4.65	Antibacterial activity against Escherichia coli assessed as growth inhibition after 24 hr by two-fold serial dilution method	ChEMBL.	No reference
MIC (functional)	= 6.9 ug ml-1	Antibacterial activity against Escherichia coli assessed as growth inhibition after 24 hr by two-fold serial dilution method	ChEMBL.	No reference

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: CHEMBL2298114

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1792765