TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 579.223 | Formula: C23H9Br2N5O2S
H donors: 0 H acceptors: 5 LogP: 6.79 Rotable bonds: 1
Rule of 5 violations (Lipinski): 2
SMILES: Brc1cc(Br)c2c(c1)cc(c(=O)o2)c1nc2ccccc2c2n1c1ccc3c(c1n2)nsn3
InChi: 1S/C23H9Br2N5O2S/c24-11-7-10-8-13(23(31)32-20(10)14(25)9-11)22-26-15-4-2-1-3-12(15)21-27-19-17(30(21)22)6-5-16-18(19)29-33-28-16/h1-9H
InChiKey: FTOSFVLOONHFJF-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
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0158	1	1
Toxoplasma gondii	metallo-beta-lactamase domain-containing protein	0.0138	0.8072	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0138	0.8072	0.5
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0158	1	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0126	0.6934	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0138	0.8072	0.8072
Plasmodium vivax	unspecified product	0.0138	0.8072	0.5
Mycobacterium tuberculosis	Possible hydrolase	0.0138	0.8072	0.5
Chlamydia trachomatis	ribonuclease Z	0.0138	0.8072	0.5
Trypanosoma brucei	hydroxyacylglutathione hydrolase, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.3066	0.3066
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0158	1	1
Mycobacterium ulcerans	hypothetical protein	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Plasmodium falciparum	cytosolic glyoxalase II	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.6922	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.3078	0.3078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.3078	0.3078
Brugia malayi	ethe1-prov protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.3945	0.3945
Mycobacterium ulcerans	hydrolase	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.6922	0.6922
Toxoplasma gondii	hydroxyacylglutathione hydrolase	0.0138	0.8072	1
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.6922	0.6922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.3945	0.3945
Mycobacterium ulcerans	hypothetical protein	0.0138	0.8072	0.5
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0075	0.207	0.207
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0106	0.5047	0.5047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.3066	0.3066
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0158	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0138	0.8072	0.5
Onchocerca volvulus		0.0138	0.8072	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0138	0.8072	0.8072
Plasmodium vivax	hydroxyacyl glutathione hydrolase, putative	0.0138	0.8072	0.5
Echinococcus multilocularis	ETHE1 protein	0.0138	0.8072	0.8072
Trypanosoma cruzi	target of rapamycin kinase 3	0.0126	0.6934	0.6934
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	beta lactamase domain, putative	0.0138	0.8072	0.8072
Mycobacterium ulcerans	glyoxalase II, GloB	0.0138	0.8072	0.5
Leishmania major	hydroxyacylglutathione hydrolase, putative,glyoxalase II, putative	0.0138	0.8072	0.8072
Echinococcus multilocularis	zinc phosphodiesterase	0.0138	0.8072	0.8072
Mycobacterium tuberculosis	Conserved protein	0.0138	0.8072	0.5
Onchocerca volvulus		0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0135	0.78	0.78
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0158	1	1
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0138	0.8072	0.8072
Mycobacterium ulcerans	hypothetical protein	0.0138	0.8072	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0138	0.8072	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.8072	0.8072
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0138	0.8072	0.8072
Loa Loa (eye worm)	phosphatidylinositol 3	0.0158	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.6922	0.6922
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	beta lactamase domain, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	1	1
Treponema pallidum	ribonuclease Z	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.3945	0.3945
Mycobacterium ulcerans	hypothetical protein	0.0138	0.8072	0.5
Wolbachia endosymbiont of Brugia malayi	metallo-beta-lactamase superfamily hydrolase	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Loa Loa (eye worm)	hypothetical protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	beta lactamase domain, putative	0.0138	0.8072	0.8072
Echinococcus granulosus	hydroxyacylglutathione hydrolase	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.3855	0.3855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0158	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Trypanosoma brucei	metallo-beta-lactamase-like protein, putative	0.0138	0.8072	0.8072
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0138	0.8072	0.8072
Echinococcus granulosus	ETHE1 protein	0.0138	0.8072	0.8072
Echinococcus granulosus	zinc phosphodiesterase	0.0138	0.8072	0.8072
Leishmania major	metallo-beta-lactamase family-like protein	0.0138	0.8072	0.8072
Schistosoma mansoni	zinc phosphodiesterase	0.0138	0.8072	0.8072
Brugia malayi	metallo-beta-lactamase superfamily protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.8072	0.8072
Mycobacterium leprae	POSSIBLE HYDROLASE	0.0138	0.8072	0.5
Loa Loa (eye worm)	metallo-beta-lactamase superfamily protein	0.0138	0.8072	0.8072
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0158	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.3855	0.3855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.6922	0.6922
Echinococcus granulosus	metallo beta lactamase domain containing protein	0.0138	0.8072	0.8072
Brugia malayi	Chain A, Human Glyoxalase Ii With Cacodylate And Acetate Ions Present In The Active Site.	0.0138	0.8072	0.8072
Leishmania major	metallo-beta-lactamase family protein-like protein	0.0138	0.8072	0.8072
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0158	1	1
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0103	0.4722	0.4722
Loa Loa (eye worm)	hypothetical protein	0.0138	0.8072	0.8072
Leishmania major	cleavage and polyadenylation specificity factor, putative	0.0138	0.8072	0.8072
Trypanosoma cruzi	glyoxalase II	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Trypanosoma brucei	cleavage and polyadenylation specificity factor subunit, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.8072	0.8072
Mycobacterium leprae	conserved hypothetical protein	0.0138	0.8072	0.5
Mycobacterium ulcerans	hydrolase	0.0138	0.8072	0.5
Schistosoma mansoni	hydroxyacylglutathione hydrolase (Glyoxalase II) (Glx II)	0.0138	0.8072	0.8072
Schistosoma mansoni	hypothetical protein	0.0138	0.8072	0.8072
Onchocerca volvulus	Putative hydrolase PNKD	0.0138	0.8072	0.5
Trypanosoma cruzi	hydroxyacylglutathione hydrolase, putative	0.0138	0.8072	0.8072
Loa Loa (eye worm)	hydroxyacylglutathione hydrolase cytoplasmic	0.0138	0.8072	0.8072
Trypanosoma brucei	glyoxalase II	0.0138	0.8072	0.8072
Trypanosoma cruzi	glyoxalase II	0.0138	0.8072	0.8072
Onchocerca volvulus	Hydroxyacylglutathione hydrolase, mitochondrial homolog	0.0138	0.8072	0.5
Giardia lamblia	GTOR	0.0158	1	1
Schistosoma mansoni	zinc phosphodiesterase	0.0138	0.8072	0.8072
Brugia malayi	hypothetical protein	0.0138	0.8072	0.8072
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0066	0.1204	0.1204
Trypanosoma cruzi	glyoxalase II	0.0138	0.8072	0.8072
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0158	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Trypanosoma cruzi	metallo-beta-lactamase-like protein, putative	0.0138	0.8072	0.8072
Mycobacterium tuberculosis	Possible hydrolase	0.0138	0.8072	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0158	1	1
Trichomonas vaginalis	beta lactamase domain, putative	0.0138	0.8072	0.8072
Leishmania major	hypothetical protein, conserved	0.0138	0.8072	0.8072
Trichomonas vaginalis	conserved hypothetical protein	0.0138	0.8072	0.8072
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.3078	0.3078
Mycobacterium ulcerans	beta lactamase-like protein	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	1	1
Echinococcus multilocularis	hydroxyacylglutathione hydrolase	0.0138	0.8072	0.8072
Schistosoma mansoni	hypothetical protein	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0085	0.3066	0.3066
Trichomonas vaginalis	A-type flavoprotein	0.0138	0.8072	0.8072
Mycobacterium ulcerans	hydrolase	0.0138	0.8072	0.5
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	beta lactamase domain, putative	0.0138	0.8072	0.8072
Mycobacterium tuberculosis	Conserved protein	0.0138	0.8072	0.5
Mycobacterium tuberculosis	Beta lactamase like protein	0.0138	0.8072	0.5
Trypanosoma cruzi	metallo-beta-lactamase superfamily, putative	0.0138	0.8072	0.8072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0118	0.6145	0.6145
Mycobacterium tuberculosis	Conserved protein	0.0138	0.8072	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.3078	0.3078
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0126	0.6934	0.6934
Echinococcus multilocularis	metallo beta lactamase domain containing protein	0.0138	0.8072	0.8072
Mycobacterium leprae	Beta-lactamase-like protein	0.0138	0.8072	0.5
Schistosoma mansoni	hypothetical protein	0.0138	0.8072	0.8072
Mycobacterium ulcerans	Zn-dependent glyoxylase	0.0138	0.8072	0.5
Trichomonas vaginalis	beta lactamase domain, putative	0.0138	0.8072	0.8072
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0158	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0158	1	1
Loa Loa (eye worm)	hypothetical protein	0.0138	0.8072	0.8072

Activities

Activity type	Activity value	Assay description	Source	Reference
IZ (functional)	= 32 mm	Antifungal activity against Candida albicans at 1000 ug/mL after 72 hrs by agar diffusion assay	ChEMBL.	21134751
IZ (functional)	= 42 mm	Antibacterial activity against Escherichia coli at 1000 ug/mL after 72 hrs by agar diffusion assay	ChEMBL.	21134751
MIC (functional)	= 10 ug ml-1	Antibacterial activity against Escherichia coli by liquid dilution method	ChEMBL.	21134751
MIC (functional)	= 40 ug ml-1	Antifungal activity against Candida albicans by liquid dilution method	ChEMBL.	21134751

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: CHEMBL1642632

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1464860