TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.741 | Formula: C17H15BrClN3O3S
H donors: 0 H acceptors: 3 LogP: 4.1 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1noc2c1c(Cl)ccc2
InChi: 1S/C17H15BrClN3O3S/c18-12-4-6-13(7-5-12)26(23,24)22-10-8-21(9-11-22)17-16-14(19)2-1-3-15(16)25-20-17/h1-7H,8-11H2
InChiKey: FERONGADQBRNHV-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	Sodium/potassium-transporting ATPase alpha chain, putative	0.003	0.3757	0.3696
Schistosoma mansoni	ATPase	0.0014	0.1076	0.0721
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Entamoeba histolytica	plasma membrane calcium ion-transporting ATPase, putative	0.0009	0.0283	0.0823
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Entamoeba histolytica	plasma membrane calcium-transporting ATPase 1, putative	0.0008	0.0101	0.0293
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0014	0.1076	1
Schistosoma mansoni	atypical protein kinase C	0.0028	0.3439	0.7174
Trichomonas vaginalis	AGC family protein kinase	0.0069	1	1
Toxoplasma gondii	plasma membrane-type Ca(2+)-ATPase A1 PMCAA1	0.0012	0.0813	0.1729
Echinococcus granulosus	sarco:endoplasmic reticulum calcium ATPase	0.0014	0.1076	0.0821
Mycobacterium leprae	PROBABLE CATION-TRANSPORTER ATPASE I CTPI	0.0029	0.3574	0.5
Trypanosoma cruzi	Calcium ATPase SERCA-like	0.0014	0.1076	1
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Mycobacterium tuberculosis	Possible metal cation transporting P-type ATPase CtpH	0.0009	0.036	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.2057	0.198
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus multilocularis	sarco:endoplasmic reticulum calcium ATPase	0.0014	0.1076	0.0821
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0028	0.3439	0.817
Echinococcus multilocularis	Na+:K+ ATPase alpha subunit	0.0032	0.4027	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0028	0.3439	0.3375
Entamoeba histolytica	protein kinase, putative	0.0028	0.3439	1
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.0835
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Loa Loa (eye worm)	hypothetical protein	0.0035	0.4474	0.442
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0028	0.3439	0.3375
Leishmania major	P-type ATPase, putative	0.0012	0.0813	0.6754
Brugia malayi	Na,K-ATPase alpha subunit	0.0035	0.4474	0.442
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0028	0.3439	0.817
Entamoeba histolytica	protein kinase, putative	0.0028	0.3439	1
Schistosoma mansoni	serine/threonine kinase	0.0028	0.3439	0.7174
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0028	0.3439	0.817
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0014	0.1076	1
Trichomonas vaginalis	cation-transporting ATPase fungi, putative	0.0014	0.1076	0.0835
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.0835
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.313
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0028	0.3439	0.3375
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0025	0.2869	0.28
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0028	0.3439	0.3375
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0009	0.0264	0.1712
Brugia malayi	Protein kinase domain containing protein	0.0028	0.3439	0.3375
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0028	0.3439	0.817
Trypanosoma brucei	P-type H+-ATPase, putative	0.0009	0.0264	0.0502
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0012	0.0813	0.731
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Loa Loa (eye worm)	hypothetical protein	0.0028	0.3439	0.3375
Loa Loa (eye worm)	Na,K-ATPase alpha subunit	0.0035	0.4474	0.442
Trypanosoma brucei	P-type H+-ATPase, putative	0.0009	0.0264	0.0502
Loa Loa (eye worm)	calcium ATPase	0.0009	0.0283	0.0189
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.0835
Leishmania major	calcium-transporting ATPase, putative	0.0012	0.0813	0.6754
Plasmodium vivax	P-type ATPase4, putative	0.0015	0.1259	0.5
Echinococcus multilocularis	serine threonine protein kinase	0.0028	0.3439	0.817
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Loa Loa (eye worm)	E1-E2 ATPase	0.0009	0.0264	0.017
Schistosoma mansoni	Na+/K+ transporting ATPase subunit alpha	0.0035	0.4474	1
Entamoeba histolytica	protein kinase, putative	0.0028	0.3439	1
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Echinococcus granulosus	NDR protein kinase	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0041	0.5502	0.538
Toxoplasma gondii	calcium-translocating P-type ATPase, PMCA-type protein	0.0014	0.1076	0.2559
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 2	0.0014	0.1076	0.2933
Plasmodium falciparum	non-SERCA-type Ca2+ -transporting P-ATPase	0.0015	0.1259	1
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0028	0.3439	0.817
Trichomonas vaginalis	serine/threonine-protein kinase ypk, putative	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Schistosoma mansoni	ATPase	0.0014	0.1076	0.0721
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.313
Brugia malayi	p70 ribosomal S6 kinase beta	0.0028	0.3439	0.3375
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus granulosus	plasma membrane calcium transporting ATPase 2	0.0015	0.1259	0.1388
Echinococcus granulosus	protein kinase c iota type	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Brugia malayi	Hr1 repeat family protein	0.0028	0.3439	0.3375
Onchocerca volvulus		0.0034	0.4291	0.5
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0014	0.1076	0.0835
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2762	0.2692
Trypanosoma brucei	vacuolar-type Ca2+-ATPase 1	0.0014	0.1076	0.2933
Trichomonas vaginalis	serine/threonine-protein kinase, putative	0.0041	0.5502	0.538
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Toxoplasma gondii	AGC kinase	0.0028	0.3439	1
Trypanosoma brucei	vacuolar-type Ca2+-ATPase, putative	0.0014	0.1076	0.2933
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1076	0.099
Brugia malayi	Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type	0.0012	0.0813	0.0724
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0028	0.3439	1
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trypanosoma cruzi	plasma membrane Ca2+ ATPase	0.0014	0.1076	1
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0069	1	1
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0068	0.9901	0.9898
Leishmania major	calcium-translocating P-type ATPase	0.0014	0.1076	1
Trichomonas vaginalis	AGC family protein kinase	0.0069	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0014	0.1076	0.0835
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0028	0.3439	0.3375
Trichomonas vaginalis	AGC family protein kinase	0.0069	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trypanosoma cruzi	P-type H+-ATPase, putative	0.0009	0.0264	0.1712
Mycobacterium ulcerans	metal cation-transporting p-type ATPase F, CtpF	0.0015	0.1259	0.2287
Trypanosoma cruzi	calcium motive p-type ATPase, putative	0.0012	0.0813	0.731
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Leishmania major	calcium motive p-type ATPase, putative	0.0012	0.0813	0.6754
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0012	0.0813	0.0564
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0028	0.3439	0.817
Giardia lamblia	Potassium-transporting ATPase alpha chain 1	0.0032	0.4027	1
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0028	0.3439	0.3375
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Trichomonas vaginalis	cation-transporting ATPase, putative	0.0014	0.1076	0.0835
Leishmania major	vacuolar-type Ca2 -ATPase, putative	0.0014	0.1076	1
Giardia lamblia	Plasma membrane calcium-transporting ATPase 2	0.0014	0.1076	0.1314
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Plasmodium vivax	calcium-transporting ATPase, putative	0.0015	0.1259	0.5
Trichomonas vaginalis	cAMP-dependent protein kinase catalytic subunit, putative	0.0041	0.5502	0.538
Echinococcus granulosus	Protein kinase C brain isozyme	0.0028	0.3439	0.817
Entamoeba histolytica	calcium-transporting P-type ATPase, putative	0.0015	0.1259	0.3661
Echinococcus multilocularis	protein kinase c epsilon type	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Schistosoma mansoni	na+/k+ atpase alpha subunit	0.0032	0.4027	0.8781
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus granulosus	protein kinase C gamma type	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Brugia malayi	protein kinase C II.	0.0028	0.3439	0.3375
Echinococcus granulosus	calcium transporting ATPase type 2C member	0.0015	0.1259	0.1388
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0028	0.3439	0.3375
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0028	0.3439	0.817
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trypanosoma brucei	calcium motive p-type ATPase, putative	0.0012	0.0813	0.2144
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Schistosoma mansoni	serine/threonine protein kinase	0.0028	0.3439	0.7174
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Toxoplasma gondii	P-type ATPase4, putative	0.0015	0.1259	0.3134
Echinococcus multilocularis	calcium transporting ATPase type 2C member	0.0015	0.1259	0.1388
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Trichomonas vaginalis	plasma membrane calcium-transporting ATPase, putative	0.0015	0.1259	0.1022
Echinococcus multilocularis	protein kinase c iota type	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Brugia malayi	Protein kinase domain containing protein	0.0028	0.3439	0.3375
Loa Loa (eye worm)	sodium/potassium-transporting ATPase subunit alpha	0.003	0.3757	0.3696
Brugia malayi	haloacid dehalogenase-like hydrolase family protein	0.0009	0.0283	0.0189
Entamoeba histolytica	Plasma membrane calcium-transporting ATPase, putative	0.0014	0.1076	0.313
Toxoplasma gondii	sarco/endoplasmic reticulum Ca2+-ATPase	0.0015	0.1259	0.3134
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus granulosus	serine:threonine protein kinase N2	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus granulosus	Na:K ATPase alpha subunit	0.0032	0.4027	1
Trichomonas vaginalis	AGC family protein kinase	0.0028	0.3439	0.3261
Entamoeba histolytica	protein kinase, putative	0.0028	0.3439	1
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0028	0.3439	0.817
Brugia malayi	Membrane calcium atpase protein 3	0.0012	0.0813	0.0724
Brugia malayi	E1-E2 ATPase family protein	0.001	0.0446	0.0354
Trypanosoma brucei	calcium-translocating P-type ATPase	0.0012	0.0813	0.2144
Echinococcus granulosus	protein kinase c epsilon type	0.0028	0.3439	0.817
Trichomonas vaginalis	AGC family protein kinase	0.0041	0.5502	0.538
Mycobacterium ulcerans	metal cation transporter p-type ATPase a	0.0034	0.4291	1
Echinococcus multilocularis	Tetracycline resistance leader peptide, TetL	0.0015	0.1259	0.1388

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

ChEMBL: CHEMBL3338555

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 932105