TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 307.368 | Formula: C14H17N3O3S
H donors: 1 H acceptors: 2 LogP: 1.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C1CNN=C1S(=O)(=O)CC1=NCCO1
InChi: 1S/C14H17N3O3S/c1-10-2-4-11(5-3-10)12-8-16-17-14(12)21(18,19)9-13-15-6-7-20-13/h2-5,12,16H,6-9H2,1H3
InChiKey: OERCZCUJMZOMMN-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
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.012	0.0202	0.062
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0151	0.028	1
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1171	0.2874	0.3757
Loa Loa (eye worm)	hypothetical protein	0.396	0.9964	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0151	0.028	1
Loa Loa (eye worm)	hypothetical protein	0.1171	0.2874	0.2866
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0063	0.0056	0.0108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3702
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1171	0.2874	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0168	0.0143
Brugia malayi	Protein kinase domain containing protein	0.1185	0.2911	0.2892
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0026	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3702
Schistosoma mansoni	protein kinase	0.2803	0.7023	0.7015
Brugia malayi	hypothetical protein	0.1171	0.2874	0.2856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0202	0.7204
Schistosoma mansoni	rap gtpase-activating protein	0.1171	0.2874	0.2856
Echinococcus granulosus	tumor protein p63	0.0727	0.1745	0.173
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0079	0.0054
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0079	0.0054
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1185	0.2911	0.2903
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0151	0.028	0.0336
Loa Loa (eye worm)	hypothetical protein	0.1171	0.2874	0.2866
Schistosoma mansoni	serine/threonine protein kinase	0.1185	0.2911	0.2892
Schistosoma mansoni	cellular tumor antigen P53	0.0106	0.0168	0.0142
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0117	0.0196	0.0171
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0112	0.0182	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0202	0.7204
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1171	0.2874	0.2856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0098	0.0146	0.5205
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1185	0.2911	0.2903
Onchocerca volvulus		0.1171	0.2874	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0151	0.028	0.0256
Schistosoma mansoni	protein kinase	0.1185	0.2911	0.2892
Echinococcus multilocularis		0.2803	0.7023	0.9229
Echinococcus granulosus	protein kinase	0.2803	0.7023	0.7041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0126	0.4499
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.396	0.9964	1
Schistosoma mansoni	transcription factor LCR-F1	0.0117	0.0196	0.0171
Brugia malayi	RNA binding protein	0.0072	0.0079	0.0054
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0151	0.028	0.0893
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0089	0.0124	0.4418
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0071	0.0078	0.0185
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.0079	0.0071
Echinococcus multilocularis	tumor protein p63	0.0727	0.1745	0.2268
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3702
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0079	0.0054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.028	1
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1171	0.2874	1
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.2803	0.7023	0.7041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0126	0.4499
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0151	0.028	0.0255
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1171	0.2874	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0026	0.0916
Loa Loa (eye worm)	phosphatidylinositol 3	0.0151	0.028	0.0256
Schistosoma mansoni	protein kinase	0.3974	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3713
Echinococcus granulosus	tar DNA binding protein	0.0072	0.0079	0.0054
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0117	0.0196	0.0225
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3713
Echinococcus granulosus	microtubule associated protein 2	0.3033	0.7608	0.763
Brugia malayi	MH2 domain containing protein	0.0525	0.1231	0.1209
Brugia malayi	TAR-binding protein	0.0072	0.0079	0.0054
Brugia malayi	hypothetical protein	0.0117	0.0196	0.0171
Echinococcus multilocularis	microtubule associated protein 2	0.3033	0.7608	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0151	0.028	0.0893
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0026	0.0916
Echinococcus granulosus	Vam6:Vps39 protein	0.1171	0.2874	0.2866
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.0079	0.0054
Schistosoma mansoni	serine/threonine protein kinase	0.1185	0.2911	0.2892
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0101	0.0154	0.5501
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.0079	0.0054
Trypanosoma cruzi	target of rapamycin kinase 3	0.012	0.0202	0.062
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0151	0.028	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0089	0.0124	0.4418
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1185	0.2911	0.2903
Loa Loa (eye worm)	transcription factor SMAD2	0.0525	0.1231	0.1213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.028	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0202	0.7204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0026	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0202	0.7204
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0151	0.028	0.0255
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.0079	0.0054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0129	0.0224	0.8002
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0151	0.028	0.0893
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1185	0.2911	0.3805
Schistosoma mansoni	hypothetical protein	0.0117	0.0196	0.0171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0126	0.4499
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1171	0.2874	0.2866
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.028	1
Loa Loa (eye worm)	RNA binding protein	0.0072	0.0079	0.0054
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0079	0.0054
Schistosoma mansoni	vam6/vps39 related	0.1171	0.2874	0.2856
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1171	0.2874	0.2856
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0151	0.028	0.0893
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0081	0.0104	0.3713
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0151	0.028	1
Brugia malayi	Temporarily assigned gene name protein 59	0.1171	0.2874	0.2856
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1185	0.2911	0.3805
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1185	0.2911	0.3805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Schistosoma mansoni	microtubule-associated protein tau	0.3033	0.7608	0.7602
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1185	0.2911	0.2903
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.012	0.0202	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Giardia lamblia	GTOR	0.0151	0.028	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.0182	0.6498
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0079	0.0054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0202	0.7204
Loa Loa (eye worm)	MH2 domain-containing protein	0.0525	0.1231	0.1213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0026	0.0916
Loa Loa (eye worm)	hypothetical protein	0.1171	0.2874	0.2866
Schistosoma mansoni	hypothetical protein	0.1171	0.2874	0.2856

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: CHEMBL1829910

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 1109310