TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.691 | Formula: C19H12Cl3N5
H donors: 1 H acceptors: 3 LogP: 4.81 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1nc(cc(n1)c1ccc(c(c1Cl)Cl)Cl)c1ccc(cc1)n1cncc1
InChi: 1S/C19H12Cl3N5/c20-14-6-5-13(17(21)18(14)22)16-9-15(25-19(23)26-16)11-1-3-12(4-2-11)27-8-7-24-10-27/h1-10H,(H2,23,25,26)
InChiKey: BKXCVGRRBCAWIM-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
Loa Loa (eye worm)	hypothetical protein	0.002	0.0049	0.0067
Loa Loa (eye worm)	hypothetical protein	0.002	0.0049	0.0067
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0253	0.0253
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0495	0.306	0.4169
Echinococcus granulosus	6 phosphofructo 2 kinase:fructose 2	0.1161	0.7272	0.7272
Schistosoma mansoni	hypothetical protein	0.002	0.0049	0.0049
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.002	0.0049	0.5
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.002	0.0049	0.0049
Plasmodium vivax	SET domain protein, putative	0.0034	0.0139	1
Onchocerca volvulus	Protein UBASH3A homolog	0.002	0.0049	0.0067
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0685	0.4261	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0236	0.1419	0.1952
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.002	0.0049	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1161	0.7272	1
Loa Loa (eye worm)	hypothetical protein	0.1141	0.7147	0.9829
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.0253	0.1786
Mycobacterium leprae	conserved hypothetical protein	0.002	0.0049	0.5
Mycobacterium leprae	probable isochorismate synthase EntC	0.002	0.0049	0.5
Brugia malayi	Pre-SET motif family protein	0.0034	0.0139	0.0982
Loa Loa (eye worm)	hypothetical protein	0.002	0.0049	0.0067
Schistosoma mansoni	hypothetical protein	0.002	0.0049	0.0049
Echinococcus multilocularis	neuropeptide receptor A26	0.0542	0.3356	0.3356
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.002	0.0049	0.5
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.002	0.0049	0.5
Schistosoma mansoni	hypothetical protein	0.002	0.0049	0.0049
Echinococcus granulosus	phosphoglycerate mutase	0.002	0.0049	0.0049
Plasmodium falciparum	phosphoglycerate mutase, putative	0.002	0.0049	0.5
Loa Loa (eye worm)	phosphoglycerate mutase	0.002	0.0049	0.0067
Mycobacterium ulcerans	hypothetical protein	0.0685	0.4261	1
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.002	0.0049	0.5
Onchocerca volvulus		0.002	0.0049	0.0067
Echinococcus multilocularis	phosphoglycerate mutase	0.002	0.0049	0.0049
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.0253	0.0349
Echinococcus granulosus	phosphoglycerate mutase	0.002	0.0049	0.0049
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0495	0.306	0.4169
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.002	0.0049	0.5
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.002	0.0049	0.5
Brugia malayi	phosphoglycerate mutase family protein	0.002	0.0049	0.0345
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.002	0.0049	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0542	0.3356	0.3356
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0495	0.306	0.4169
Onchocerca volvulus	Protein UBASH3A homolog	0.002	0.0049	0.0067
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0495	0.306	0.4169
Schistosoma mansoni	hypothetical protein	0.002	0.0049	0.0049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0253	0.0253
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0253	0.0253
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0139	0.0192
Schistosoma mansoni	hypothetical protein	0.0192	0.1142	0.1142
Giardia lamblia	Hypothetical protein	0.0685	0.4261	0.5
Mycobacterium tuberculosis	Conserved protein	0.002	0.0049	0.5
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.002	0.0049	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.1592	1	1
Mycobacterium tuberculosis	Conserved protein	0.002	0.0049	0.5
Mycobacterium leprae	conserved hypothetical protein	0.002	0.0049	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0253	0.0253
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0034	0.0139	0.0139
Schistosoma mansoni	hypothetical protein	0.002	0.0049	0.0049
Brugia malayi	Pre-SET motif family protein	0.0236	0.1419	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.1141	0.7147	0.9828
Echinococcus multilocularis	phosphoglycerate mutase	0.002	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0834	0.1147
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.1161	0.7272	0.7272
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.0253	0.0253
Schistosoma mansoni	phosphoglycerate mutase	0.002	0.0049	0.0049
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1141	0.7147	0.9828
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.002	0.0049	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.0253	0.0253
Onchocerca volvulus	Protein UBASH3A homolog	0.002	0.0049	0.0067
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.002	0.0049	0.0049
Echinococcus granulosus	phosphoglycerate mutase	0.002	0.0049	0.0049
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.0139	0.0139
Onchocerca volvulus		0.002	0.0049	0.0067
Schistosoma mansoni	6-phosphofructokinase	0.1161	0.7272	0.7272
Echinococcus granulosus	neuropeptide receptor A26	0.0542	0.3356	0.3356
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1161	0.7272	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0033	0.0131	0.0131
Onchocerca volvulus		0.1161	0.7272	1
Echinococcus multilocularis	geminin	0.0192	0.1142	0.1142
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0834	0.1147
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0139	0.0139
Brugia malayi	phosphoglycerate mutase family protein	0.002	0.0049	0.0345
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.002	0.0049	0.0049
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.002	0.0049	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0034	0.0139	0.0139
Onchocerca volvulus	Protein UBASH3A homolog	0.002	0.0049	0.0067
Mycobacterium leprae	Possible phosphoglycerate mutase	0.002	0.0049	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0049	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.1592	1	1
Echinococcus multilocularis	phosphoglycerate mutase	0.002	0.0049	0.0049
Treponema pallidum	phosphoglyceromutase	0.002	0.0049	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0034	0.0139	0.0139
Schistosoma mansoni	hypothetical protein	0.002	0.0049	0.0049
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0685	0.4261	1
Echinococcus granulosus	phosphoglycerate mutase	0.002	0.0049	0.0049
Schistosoma mansoni	hypothetical protein	0.0192	0.1142	0.1142
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0034	0.0139	0.0139
Echinococcus multilocularis	neuropeptide s receptor	0.0542	0.3356	0.3356
Onchocerca volvulus		0.0269	0.1626	0.2236
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0034	0.0139	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1141	0.7147	0.9828
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1161	0.7272	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1161	0.7272	1
Loa Loa (eye worm)	hypothetical protein	0.0665	0.4137	0.5689
Echinococcus granulosus	phosphoglycerate mutase	0.002	0.0049	0.0049
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1141	0.7147	0.9828
Onchocerca volvulus		0.0034	0.0139	0.0192
Echinococcus multilocularis	phosphoglycerate mutase	0.002	0.0049	0.0049
Trichomonas vaginalis	set domain proteins, putative	0.0269	0.1626	1
Plasmodium falciparum	phosphoglucomutase-2	0.002	0.0049	0.5
Onchocerca volvulus		0.002	0.0049	0.0067
Echinococcus multilocularis	phosphoglycerate mutase	0.002	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.1161	0.7272	1
Brugia malayi	UBASH3A protein homolog	0.002	0.0049	0.0345
Echinococcus multilocularis	phosphoglycerate mutase	0.002	0.0049	0.0049
Onchocerca volvulus	Huntingtin homolog	0.0144	0.0834	0.1147
Giardia lamblia	Hypothetical protein	0.0685	0.4261	0.5
Brugia malayi	hypothetical protein	0.0144	0.0834	0.5876
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.002	0.0049	0.0049
Echinococcus granulosus	geminin	0.0192	0.1142	0.1142
Onchocerca volvulus	Huntingtin homolog	0.0144	0.0834	0.1147
Schistosoma mansoni	phosphoglycerate mutase	0.002	0.0049	0.0049
Mycobacterium leprae	conserved hypothetical protein	0.002	0.0049	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.0253	0.0253
Loa Loa (eye worm)	hypothetical protein	0.002	0.0049	0.0067

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 12 %	Inhibition of snake venom phosphodiesterase using bis-(para-nitrophenyl)phosphate as substrate at 0.2 mM after 30 min by spectrophotometric analysis	ChEMBL.	No reference
IZ (functional)	= 18 mm	Antibacterial activity against Escherichia coli assessed as growth inhibition after 24 hr by agar well diffusion 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: CHEMBL2296870

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1792342