TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 387.885 | Formula: C22H14ClN3S
H donors: 1 H acceptors: 2 LogP: 6.22 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C1=NC(=Nc2c(N1)ccc1c2cccc1)c1cccs1
InChi: 1S/C22H14ClN3S/c23-16-10-7-15(8-11-16)21-24-18-12-9-14-4-1-2-5-17(14)20(18)25-22(26-21)19-6-3-13-27-19/h1-13H,(H,24,25,26)
InChiKey: DALRUGVZIRGDGU-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	6-phosphofructokinase	0.0108	0.9058	0.9039
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.2067	0.2237
Brugia malayi	phosphofructokinase	0.0108	0.9058	0.9039
Loa Loa (eye worm)	hypothetical protein	0.007	0.5711	0.5711
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.9058	0.9058
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.9058	1
Schistosoma mansoni	Smad4	0.0008	0.0196	0.0216
Echinococcus granulosus	zinc finger protein	0.0021	0.1348	0.1386
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.9058	0.9058
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.9058	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.2067	0.2237
Schistosoma mansoni	cpg binding protein	0.0032	0.2322	0.2564
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.2067	0.2237
Schistosoma mansoni	zinc finger protein	0.0015	0.0827	0.0913
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.9058	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.161	0.1777
Schistosoma mansoni	cpg binding protein	0.0032	0.2322	0.2564
Loa Loa (eye worm)	bromodomain containing protein	0.0017	0.1036	0.1036
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.2645	0.2835
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0196	0.0098
Schistosoma mansoni	smad	0.0008	0.0196	0.0216
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.042	0.0229
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.2067	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0196	0.0098
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0108	0.9058	0.5
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0108	0.9058	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.4847	0.5351
Loa Loa (eye worm)	PHD-finger family protein	0.002	0.1297	0.1297
Schistosoma mansoni	hypothetical protein	0.0015	0.0827	0.0913
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0196	0.0216
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.9058	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.9058	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.351	0.3801
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.4482	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.9058	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.351	0.3801
Brugia malayi	6-phosphofructokinase	0.0108	0.9058	0.9039
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.9058	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.1037	0.1145
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.2067	0.5
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.1037	0.1145
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0018	0.1037	0.1038
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.2067	0.2237
Echinococcus granulosus	cpg binding protein	0.0032	0.2322	0.2475
Schistosoma mansoni	bromodomain containing protein	0.0064	0.52	0.5741
Brugia malayi	Bromodomain containing protein	0.0038	0.2854	0.2711
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.351	0.3801
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0196	0.0216
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0108	0.9058	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.1037	0.1037
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.9058	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.9058	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.201	0.201
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0196	0.0216
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0262	0.0172
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.2067	0.2237
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.351	0.351
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.2067	0.5
Onchocerca volvulus		0.0028	0.201	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.161	0.1678
Echinococcus multilocularis	6 phosphofructokinase	0.0108	0.9058	1
Echinococcus granulosus	6 phosphofructokinase	0.0108	0.9058	1
Schistosoma mansoni	cpg binding protein	0.0028	0.201	0.2219
Brugia malayi	CXXC zinc finger family protein	0.0028	0.201	0.185
Brugia malayi	PHD-finger family protein	0.0026	0.1818	0.1655
Loa Loa (eye worm)	hypothetical protein	0.004	0.3069	0.3069
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0982	0.0977
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0196	0.0098
Schistosoma mansoni	zinc finger protein	0.0021	0.1348	0.1488
Echinococcus granulosus	histone lysine methyltransferase setb	0.0018	0.1037	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0044	0.3381	0.3381
Brugia malayi	Bromodomain containing protein	0.0076	0.6233	0.6157
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.2067	0.5
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0196	0.0098
Echinococcus multilocularis	smad	0.0008	0.0196	0.0098
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.351	0.3875
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0982	0.1084
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.9058	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0108	0.9058	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.286	0.286
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.4884	0.5337
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0262	0.0172
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0196	0.0216
Loa Loa (eye worm)	phosphofructokinase	0.0108	0.9058	0.9058
Echinococcus multilocularis	cpg binding protein	0.0032	0.2322	0.2475
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.2067	0.2237
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.161	0.1678
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.2067	0.2237
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.4884	0.5337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.351	0.3875
Loa Loa (eye worm)	Smad1	0.0008	0.0196	0.0196
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0196	0.0196
Echinococcus multilocularis	zinc finger protein	0.0021	0.1348	0.1386
Echinococcus granulosus	Smad4	0.0008	0.0196	0.0098
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.9058	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0107	0.0119
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0982	0.1084
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.2067	0.5
Schistosoma mansoni	hypothetical protein	0.002	0.1297	0.1432
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0196	0.0196
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.2645	0.2835
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.351	0.3875
Echinococcus multilocularis	Smad4	0.0008	0.0196	0.0098
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.351	0.3801
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0262	0.0262
Echinococcus granulosus	smad	0.0008	0.0196	0.0098
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0982	0.0977
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.351	0.338
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.2067	0.5
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0029	0.2067	0.5
Leishmania major	ATP-dependent phosphofructokinase	0.0108	0.9058	1

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 833580