TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 409.419 | Formula: C19H15N5O4S
H donors: 4 H acceptors: 6 LogP: 1.75 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)nc([nH]2)O)Nc1ccncc1
InChi: 1S/C19H15N5O4S/c25-18(21-13-7-9-20-10-8-13)12-1-3-14(4-2-12)24-29(27,28)15-5-6-16-17(11-15)23-19(26)22-16/h1-11,24H,(H,20,21,25)(H2,22,23,26)
InChiKey: PKZUOJXQDQYHKK-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
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0122	0.0305	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0137	0.0361	0.0313
Leishmania major	hypothetical protein, conserved	0.0122	0.0305	1
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0122	0.0305	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0122	0.0305	0.4591
Echinococcus multilocularis	serotonin receptor	0.0137	0.0361	0.0313
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0122	0.0305	0.5
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0122	0.0305	1
Schistosoma mansoni	hypothetical protein	0.0087	0.018	0.0146
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0372	0.1213	0.117
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Echinococcus multilocularis	small conductance calcium activated potassium	0.2793	1	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Toxoplasma gondii	ion channel protein	0.0122	0.0305	1
Schistosoma mansoni	amine GPCR	0.0352	0.1141	0.111
Echinococcus granulosus	twik family of potassium channels	0.0122	0.0305	0.0257
Plasmodium vivax	potassium channel, putative	0.0122	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.125	0.4401	0.4393
Loa Loa (eye worm)	uncoordinated protein 58	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.2793	1	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Toxoplasma gondii	ion channel protein	0.0122	0.0305	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0305	1
Schistosoma mansoni	calcium-activated potassium channel	0.0122	0.0305	0.0271
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Echinococcus multilocularis	calcium activated potassium channel variant	0.0122	0.0305	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0135	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0122	0.0305	1
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0122	0.0305	0.0291
Echinococcus multilocularis	potassium channel subfamily K	0.0122	0.0305	0.0257
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0361	0.0347
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0372	0.1213	0.117
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0122	0.0305	0.0257
Brugia malayi	hypothetical protein	0.0122	0.0305	0.4591
Plasmodium falciparum	potassium channel	0.0122	0.0305	1
Echinococcus granulosus	calcium activated potassium channel variant	0.0122	0.0305	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0042	0.0014	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0122	0.0305	0.4591
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Echinococcus multilocularis	serotonin receptor	0.0137	0.0361	0.0313
Trypanosoma cruzi	hypothetical protein, conserved	0.0122	0.0305	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0122	0.0305	0.4591
Schistosoma mansoni	hypothetical protein	0.0122	0.0305	0.0271
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0162	0.0452	0.0419
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0122	0.0305	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0122	0.0305	0.0291
Loa Loa (eye worm)	TWK-7 protein	0.0122	0.0305	0.0291
Brugia malayi	Cache domain containing protein	0.0075	0.0135	0.2037
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Trypanosoma cruzi	ion transport protein, putative	0.0122	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Schistosoma mansoni	serine-rich repeat protein	0.0087	0.018	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0361	0.0347
Echinococcus multilocularis	potassium channel subfamily K 8	0.0122	0.0305	0.0257
Echinococcus multilocularis	twik family of potassium channels	0.0122	0.0305	0.0257
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0137	0.0361	0.0327
Trypanosoma cruzi	ion transport protein, putative	0.0122	0.0305	1
Schistosoma mansoni	calcium-activated potassium channel	0.0122	0.0305	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Leishmania major	hypothetical protein, conserved	0.0122	0.0305	1
Plasmodium vivax	potassium channel, putative	0.0122	0.0305	1
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.0169	0.0477	0.043
Leishmania major	potassium channel subunit-like protein	0.0122	0.0305	1
Giardia lamblia	Hypothetical protein	0.0122	0.0305	1
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Echinococcus granulosus	potassium channel subfamily K 8	0.0122	0.0305	0.0257
Brugia malayi	hypothetical protein	0.0122	0.0305	0.4591
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0122	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0122	0.0305	0.5
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0122	0.0305	0.0257
Echinococcus multilocularis	twik family of potassium channels	0.0122	0.0305	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0299	0.0949	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	TWK-28 protein	0.0122	0.0305	0.0291
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Schistosoma mansoni	calcium-activated potassium channel	0.2793	1	1
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0122	0.0305	0.4591
Mycobacterium ulcerans	transmembrane cation transporter	0.0122	0.0305	0.5
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0122	0.0305	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Leishmania major	calcium/potassium channel (CAKC), putative	0.0122	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Echinococcus granulosus	potassium channel subfamily K 8	0.0122	0.0305	0.0257
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0122	0.0305	0.4591
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.1122	0.3936	0.3927
Echinococcus granulosus	voltage dependent calcium channel subunit	0.0169	0.0477	0.043
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0122	0.0305	0.4591
Echinococcus multilocularis	potassium channel subfamily K 8	0.0122	0.0305	0.0257
Echinococcus granulosus	potassium channel subfamily K	0.0122	0.0305	0.0257
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0122	0.0305	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0122	0.0305	0.4591
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0122	0.0305	0.4591
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0122	0.0305	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0049	0.0035
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0122	0.0305	0.0257
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0303	0.0964	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Leishmania major	ion transport protein-like protein	0.0122	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0122	0.0305	1
Plasmodium falciparum	potassium channel	0.0122	0.0305	1
Schistosoma mansoni	twik family of potassium channels-related	0.0122	0.0305	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0122	0.0305	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0122	0.0305	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0122	0.0305	0.4591
Echinococcus granulosus	twik family of potassium channels	0.0122	0.0305	0.0257
Schistosoma mansoni	calcium-activated potassium channel	0.2372	0.8473	0.8468
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0122	0.0305	0.4591
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0122	0.0305	0.5
Mycobacterium ulcerans	ion transport protein	0.0122	0.0305	0.5
Brugia malayi	Telomerase reverse transcriptase	0.022	0.0663	1
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0082	0.016	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291
Schistosoma mansoni	hypothetical protein	0.2793	1	1
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0305	0.0291

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1716794

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 1483236