TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 458.531 | Formula: C22H26N4O5S
H donors: 2 H acceptors: 4 LogP: 2.14 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1O)C=NN(C1=NS(=O)(=O)c2c1cccc2)CCC(=O)NC(C)(C)C
InChi: 1S/C22H26N4O5S/c1-22(2,3)24-19(27)12-13-26(23-14-15-8-7-10-17(31-4)20(15)28)21-16-9-5-6-11-18(16)32(29,30)25-21/h5-11,14,28H,12-13H2,1-4H3,(H,24,27)/b23-14+
InChiKey: RBWBTHALMGYDLS-OEAKJJBVSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.1501	0.2478
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0222	0.0147
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2984	0.2927
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Brugia malayi	Augmenter of liver regeneration	0.0067	0.4582	0.4538
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.1501	0.2478
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0067	0.4582	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.1036	0.2247
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.1501	0.3263
Leishmania major	hypothetical protein, conserved	0.0025	0.1501	0.1311
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.2737	0.5496
Brugia malayi	quiescin Q6	0.0011	0.0486	0.0408
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.1501	0.2478
Schistosoma mansoni	quiescin q6-related sulfhydryl oxidase	0.0011	0.0486	0.048
Echinococcus multilocularis	cpg binding protein	0.003	0.1884	0.1818
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.1036	0.0992
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0347	0.0277
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2984	0.298
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0222	0.0142
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.407	0.4067
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0177	0.0647
Echinococcus granulosus	sulfhydryl oxidase 1	0.0011	0.0486	0.0421
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0067	0.4582	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2984	0.3015
Trichomonas vaginalis	helicase, putative	0.0006	0.0177	0.0647
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.1036	0.5
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.2485	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0514	0.0437
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0067	0.4582	0.4674
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0339	0.0261
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.2485	0.4881
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1766	0.1699
Onchocerca volvulus		0.0028	0.1766	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0486	0.0408
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0177	0.0647
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	1	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.2485	1
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0347	0.0269
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2984	0.298
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.2737	0.5496
Echinococcus multilocularis	sulfhydryl oxidase 1	0.0011	0.0486	0.0408
Schistosoma mansoni	ap endonuclease	0.0018	0.1036	0.103
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.1036	0.1343
Schistosoma mansoni	ap endonuclease	0.0018	0.1036	0.103
Schistosoma mansoni	zinc finger protein	0.0005	0.0081	0.0075
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.1036	0.1343
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.9711	1
Toxoplasma gondii	Erv1 / Alr family protein	0.0067	0.4582	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.1501	0.2478
Loa Loa (eye worm)	acetyltransferase	0.0142	1	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.2737	0.2758
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0067	0.4582	0.4538
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0025	0.1501	0.1432
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0067	0.4582	1
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0067	0.4582	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0177	0.0647
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0067	0.4582	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0222	0.0147
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2984	0.2927
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.1036	0.0963
Loa Loa (eye worm)	quiescin Q6	0.0011	0.0486	0.0408
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0177	0.0647
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.2737	0.5966
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.1036	0.0963
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.2737	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0347	0.0269
Loa Loa (eye worm)	hepatopoietin HPO2	0.0067	0.4582	0.4538
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0222	0.0142
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0177	0.0647
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0514	0.045
Brugia malayi	Erv1 / Alr family protein	0.0011	0.0486	0.0408
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0081	0.0075
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.2737	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0177	0.0647
Schistosoma mansoni	bromodomain containing protein	0.0005	0.0081	0.0075
Loa Loa (eye worm)	Erv1/Alr family protein	0.0011	0.0486	0.0408
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.1036	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Schistosoma mansoni	cpg binding protein	0.0028	0.1766	0.1761
Brugia malayi	hypothetical protein	0.0016	0.0867	0.0792
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.1501	0.2478
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.3857	0.8229
Leishmania major	hypothetical protein, conserved	0.0067	0.4582	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2984	0.2927
Brugia malayi	hypothetical protein	0.0025	0.1501	0.1432
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.1036	0.1343
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0177	0.0647
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.1036	0.0963
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0177	0.0647
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2984	0.298
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0486	0.0408
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2984	0.2927
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2984	0.3015
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1766	0.1699
Echinococcus granulosus	cpg binding protein	0.003	0.1884	0.1872
Toxoplasma gondii	exonuclease III APE	0.0018	0.1036	0.1343
Schistosoma mansoni	hypothetical protein	0.0011	0.0514	0.0508
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.1501	0.2478
Schistosoma mansoni	cpg binding protein	0.003	0.1884	0.1879
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	1	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.1036	0.1343
Plasmodium vivax	hypothetical protein, conserved	0.0011	0.0486	0.1044
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0067	0.4582	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0177	0.0647
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.1036	0.3785
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0222	0.0216
Schistosoma mansoni	cpg binding protein	0.003	0.1884	0.1879
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.1036	0.3785
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.1036	0.5
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.1036	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0067	0.4582	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

Search by Saint Jude

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 758650