TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.527 | Formula: C20H19N5O2S2
H donors: 2 H acceptors: 4 LogP: 3.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(=O)NCCc1csc2n1nc(n2)c1cccs1)Nc1ccc(c(c1)C)C
InChi: 1S/C20H19N5O2S2/c1-12-5-6-14(10-13(12)2)22-19(27)18(26)21-8-7-15-11-29-20-23-17(24-25(15)20)16-4-3-9-28-16/h3-6,9-11H,7-8H2,1-2H3,(H,21,26)(H,22,27)
InChiKey: AWMJKXVVEULFQN-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	0.0158	1	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.2499	0.2499
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.8657	0.8569
Leishmania major	hypothetical protein, conserved	0.0035	0.1515	0.4027
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.2499	0.2499
Schistosoma mansoni	lamin	0.0028	0.0993	0.0406
Mycobacterium ulcerans	hypothetical protein	0.0156	0.9892	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0027	0.092	0.0328
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.2499	0.2499
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2499	0.176
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.2499	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Echinococcus granulosus	para nitrobenzyl esterase	0.0027	0.092	0.092
Brugia malayi	Carboxylesterase family protein	0.0027	0.092	0.0826
Echinococcus multilocularis	lamin dm0	0.0028	0.0993	0.0993
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0022	0.0612	0.5
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0156	0.9892	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Loa Loa (eye worm)	carboxylesterase	0.0158	1	1
Echinococcus granulosus	BC026374 protein S09 family	0.0027	0.092	0.092
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0035	0.1515	0.4027
Echinococcus granulosus	carboxylesterase 5A	0.0158	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0158	1	1
Onchocerca volvulus		0.0028	0.0993	1
Echinococcus granulosus	lamin	0.0028	0.0993	0.0993
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.2499	0.2499
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.2499	1
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0993	0.0406
Echinococcus multilocularis	lamin	0.0028	0.0993	0.0993
Loa Loa (eye worm)	acetylcholinesterase 1	0.0158	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0027	0.092	0.0332
Mycobacterium ulcerans	carboxylesterase, LipT	0.0027	0.092	0.0332
Schistosoma mansoni	BC026374 protein (S09 family)	0.0027	0.092	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0027	0.092	0.0332
Brugia malayi	MH2 domain containing protein	0.0116	0.7099	0.707
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.2499	0.201
Echinococcus granulosus	intermediate filament protein	0.0028	0.0993	0.0993
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0852	0.0852
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.8657	0.8657
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2499	0.176
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.2499	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0035	0.1515	0.4786
Brugia malayi	Carboxylesterase family protein	0.0027	0.092	0.0826
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0852	0.2655
Trypanosoma brucei	protein kinase, putative	0.005	0.2499	1
Echinococcus multilocularis	musashi	0.0028	0.0993	0.0993
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0993	0.0993
Loa Loa (eye worm)	hypothetical protein	0.0158	1	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0027	0.092	0.092
Brugia malayi	Carboxylesterase family protein	0.0158	1	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.2499	1
Echinococcus granulosus	acetylcholinesterase	0.0158	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.7099	0.7099
Loa Loa (eye worm)	carboxylesterase	0.0027	0.092	0.092
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0139	0.8657	0.8657
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0158	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0027	0.092	0.0328
Toxoplasma gondii	Erv1 / Alr family protein	0.0035	0.1515	0.4786
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0035	0.1515	0.4027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.8657	0.8569
Brugia malayi	hypothetical protein	0.0027	0.092	0.0826
Echinococcus multilocularis	ornithine aminotransferase	0.0022	0.0612	0.0612
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0852	0.2655
Echinococcus granulosus	lamin dm0	0.0028	0.0993	0.0993
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0035	0.1515	0.4027
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0156	0.9892	1
Echinococcus granulosus	acetylcholinesterase	0.0158	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Echinococcus multilocularis	acetylcholinesterase	0.0158	1	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0027	0.092	0.092
Schistosoma mansoni	lamin	0.0028	0.0993	0.0406
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.2499	1
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0993	0.0993
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0993	0.09
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.2499	1
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0022	0.0612	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.8657	0.8657
Echinococcus granulosus	ornithine aminotransferase	0.0022	0.0612	0.0612
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0852	0.1271
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.2499	0.2499
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0022	0.0612	0.0515
Schistosoma mansoni	gliotactin	0.0027	0.092	0.0328
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0139	0.8657	0.8643
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0035	0.1515	1
Onchocerca volvulus		0.0028	0.0993	1
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0035	0.1515	1
Brugia malayi	hypothetical protein	0.0026	0.0852	0.0757
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2499	0.176
Brugia malayi	hypothetical protein	0.0017	0.0222	0.0121
Brugia malayi	Augmenter of liver regeneration	0.0035	0.1515	0.1428
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0156	0.9892	1
Echinococcus multilocularis	ornithine aminotransferase	0.0022	0.0612	0.0612
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0139	0.8657	0.8657
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0035	0.1515	0.1515
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0156	0.9892	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0027	0.092	0.0328
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0027	0.092	0.0328
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0139	0.8657	0.8657
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0993	0.0993
Brugia malayi	Carboxylesterase family protein	0.0027	0.092	0.0826
Brugia malayi	Carboxylesterase family protein	0.0027	0.092	0.0826
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.7099	0.7099
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Echinococcus granulosus	Aminotransferase class III	0.0022	0.0612	0.0612
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0027	0.092	0.0332
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0139	0.8657	0.8569
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.2499	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0035	0.1515	0.4027
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0102	0.0102
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.2499	0.176
Mycobacterium tuberculosis	Probable aminotransferase	0.0156	0.9892	1
Loa Loa (eye worm)	hepatopoietin HPO2	0.0035	0.1515	0.1515
Brugia malayi	MAP kinase sur-1	0.005	0.2499	0.2422
Brugia malayi	intermediate filament protein	0.0028	0.0993	0.09
Echinococcus multilocularis	Aminotransferase class III	0.0022	0.0612	0.0612
Schistosoma mansoni	acetylcholinesterase	0.0027	0.092	0.0328
Echinococcus granulosus	neuroligin	0.0027	0.092	0.092
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.2499	1
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0035	0.1515	0.1515
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0027	0.092	0.092
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.2499	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Echinococcus multilocularis	carboxylesterase 5A	0.0158	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.092	0.092
Echinococcus multilocularis	neuroligin	0.0027	0.092	0.092
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0027	0.092	0.092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0852	0.2655
Loa Loa (eye worm)	carboxylesterase	0.0027	0.092	0.092
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0958	0.0958

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 705916