TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 387.84 | Formula: C18H14ClN3O3S
H donors: 1 H acceptors: 5 LogP: 2.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1Cl)Nc1cccc(c1)c1ccc(nn1)S(=O)(=O)C
InChi: 1S/C18H14ClN3O3S/c1-26(24,25)17-10-9-16(21-22-17)12-5-4-6-13(11-12)20-18(23)14-7-2-3-8-15(14)19/h2-11H,1H3,(H,20,23)
InChiKey: PEJLQXZYIUOGAG-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
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0647	0.2931
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0239	0.1144
Brugia malayi	Bromodomain containing protein	0.0079	0.0394	0.182
Loa Loa (eye worm)	6-phosphofructokinase	0.0115	0.0647	0.2687
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1429	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0174	0.0527
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0157	0.0947	0.4403
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0157	0.0947	0.421
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0189	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0317	0.2085	1
Brugia malayi	Bromodomain containing protein	0.004	0.0118	0.0487
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0317	0.2085	1
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0317	0.2085	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.0279	0.0845
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0647	0.2931
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0157	0.0947	0.2865
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0317	0.2085	0.6309
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0174	0.0757
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0239	0.0722
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0239	0.0722
Loa Loa (eye worm)	hypothetical protein	0.005	0.0189	0.0357
Schistosoma mansoni	bromodomain containing protein	0.0067	0.0306	0.1468
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0317	0.2085	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0157	0.0947	0.4541
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.021	0.1322	1
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0317	0.2085	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0174	0.0527
Schistosoma mansoni	6-phosphofructokinase	0.0115	0.0647	0.3104
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0157	0.0947	0.4403
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0317	0.2085	1
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0317	0.2085	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0317	0.2085	1
Brugia malayi	mbt repeat family protein	0.005	0.0189	0.0828
Brugia malayi	phosphofructokinase	0.0115	0.0647	0.3045
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0174	0.0282
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0174	0.0836
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1429	1	1
Entamoeba histolytica	phosphofructokinase, putative	0.0115	0.0647	0.2931
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0647	0.2931
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0101	0.0304
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1429	1	0.5
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0107	0.0594	0.2666
Schistosoma mansoni	hypothetical protein	0.0306	0.2009	0.9636
Echinococcus multilocularis	neuropeptide receptor A26	0.0488	0.3305	1
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0157	0.0947	0.4403
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0174	0.0527
Echinococcus multilocularis	6 phosphofructokinase	0.0115	0.0647	0.1959
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0137	0.009
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0189	0.0906
Brugia malayi	6-phosphofructokinase	0.0115	0.0647	0.3045
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0189	0.5
Echinococcus granulosus	neuropeptide receptor A26	0.0488	0.3305	1
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0157	0.0947	0.4494
Echinococcus granulosus	neuropeptide s receptor	0.0488	0.3305	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0101	0.0304
Echinococcus granulosus	6 phosphofructokinase	0.0115	0.0647	0.1959
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0189	0.0357
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0174	0.0527
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0317	0.2085	1
Loa Loa (eye worm)	MBCTL1	0.0057	0.0239	0.0609
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0174	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0362	0.1236
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0239	0.0722
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0317	0.2085	1
Loa Loa (eye worm)	phosphofructokinase	0.0115	0.0647	0.2687
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0115	0.0647	0.2931
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0107	0.0594	0.2847
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.0279	0.0845
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0189	0.0572
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0239	0.1068
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0317	0.2085	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0189	0.0572
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0107	0.0594	0.2666
Brugia malayi	6-phosphofructokinase	0.0115	0.0647	0.3045
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0189	0.0572
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0157	0.0947	0.2865
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0174	0.0836
Entamoeba histolytica	phosphofructokinase, putative	0.0115	0.0647	0.2931
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0189	0.0906
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0125	0.0723	0.3304
Entamoeba histolytica	phosphofructokinase, putative	0.0115	0.0647	0.2931
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0107	0.0594	0.2666
Loa Loa (eye worm)	6-phosphofructokinase	0.0115	0.0647	0.2687
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0151	0.0163
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0317	0.2085	1
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0317	0.2085	1
Onchocerca volvulus		0.005	0.0189	0.5
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0189	0.0906
Brugia malayi	mbt repeat family protein	0.005	0.0189	0.0828
Schistosoma mansoni	6-phosphofructokinase	0.0115	0.0647	0.3104
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0239	0.0722
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0317	0.2085	0.6309
Echinococcus multilocularis	neuropeptide s receptor	0.0488	0.3305	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0239	0.0609
Trichomonas vaginalis	phosphofructokinase, putative	0.0115	0.0647	0.2931
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0198	0.1243	0.3761
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0198	0.1243	0.3761

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 680762