TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 427.904 | Formula: C21H18ClN3O3S
H donors: 0 H acceptors: 3 LogP: 2.85 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: C#CCn1c2sc3c(c2c(=O)n(c1=O)c1cc(Cl)ccc1C)CCN(C3)C(=O)C
InChi: 1S/C21H18ClN3O3S/c1-4-8-24-20-18(15-7-9-23(13(3)26)11-17(15)29-20)19(27)25(21(24)28)16-10-14(22)6-5-12(16)2/h1,5-6,10H,7-9,11H2,2-3H3
InChiKey: LJQWOZSYHZJMPN-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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0228	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0031	0.0976
Schistosoma mansoni	tar DNA-binding protein	0.0035	0.0058	0.0058
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0032	0.0049	0.0135
Loa Loa (eye worm)	Smad1	0.0018	0.0009	0.0003
Echinococcus multilocularis	tar DNA binding protein	0.0035	0.0058	0.0069
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0175	0.0175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0049	0.1803
Schistosoma mansoni	smad	0.0018	0.0009	0.0009
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.002	0.0016	0.039
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0024	0.0028	0.0022
Giardia lamblia	GTOR	0.0094	0.0228	0.5
Schistosoma mansoni	protein kinase	0.3508	1	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0018	0.001	0.0001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0134	0.5673
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.0009	0.0003
Loa Loa (eye worm)	hypothetical protein	0.1034	0.2918	0.2924
Loa Loa (eye worm)	RNA binding protein	0.0035	0.0058	0.0052
Loa Loa (eye worm)	phosphatidylinositol 3	0.0094	0.0228	0.0223
Schistosoma mansoni	protein kinase	0.2474	0.7041	0.7041
Loa Loa (eye worm)	MH2 domain-containing protein	0.0258	0.0698	0.0695
Echinococcus multilocularis		0.2474	0.7041	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4327
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1034	0.2918	0.2922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.012	0.5037
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0094	0.0228	1
Schistosoma mansoni	serine/threonine protein kinase	0.1046	0.2954	0.2954
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0228	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.0173	0.7477
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1046	0.2954	0.296
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.001	0.0004
Schistosoma mansoni	hypothetical protein	0.1034	0.2918	0.2918
Schistosoma mansoni	rap gtpase-activating protein	0.1034	0.2918	0.2918
Brugia malayi	RNA recognition motif domain containing protein	0.0035	0.0058	0.0052
Loa Loa (eye worm)	transcription factor SMAD2	0.0258	0.0698	0.0695
Schistosoma mansoni	tar DNA-binding protein	0.0035	0.0058	0.0058
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0032	0.0049	0.0135
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0028	0.0022
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0094	0.0228	1
Schistosoma mansoni	tar DNA-binding protein	0.0035	0.0058	0.0058
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0032	0.0049	0.0049
Echinococcus multilocularis	serine protein kinase ATM	0.0018	0.001	0.0001
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0094	0.0228	0.075
Schistosoma mansoni	vam6/vps39 related	0.1034	0.2918	0.2918
Echinococcus multilocularis	microtubule associated protein 2	0.1826	0.5184	0.7359
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.0116	0.0116
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0009	0.0009
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0032	0.0049	0.0135
Entamoeba histolytica	hypothetical protein	0.0076	0.0175	0.7589
Loa Loa (eye worm)	TAR-binding protein	0.0035	0.0058	0.0052
Brugia malayi	hypothetical protein	0.1034	0.2918	0.2913
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1046	0.2954	0.4187
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.001	0.0004
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0094	0.0228	0.075
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0175	0.0236
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0094	0.0228	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0035	0.0058	0.0052
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1046	0.2954	0.4187
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0049	0.1803
Echinococcus granulosus	microtubule associated protein 2	0.1826	0.5184	0.5199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0049	0.1803
Schistosoma mansoni	tar DNA-binding protein	0.0035	0.0058	0.0058
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.012	0.5037
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0075	0.0173	0.6934
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0039	0.0071	0.0209
Brugia malayi	MH2 domain containing protein	0.0018	0.0009	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0139	0.594
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0024	0.0028	0.0022
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0044	0.0086	0.0262
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0032	0.0049	0.0057
Brugia malayi	MH1 domain containing protein	0.0018	0.0009	0.0003
Entamoeba histolytica	hypothetical protein	0.0076	0.0175	0.7589
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1034	0.2918	0.2918
Schistosoma mansoni	serine/threonine protein kinase	0.1046	0.2954	0.2954
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0049	0.1803
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0094	0.0228	1
Schistosoma mansoni	hypothetical protein	0.0076	0.0175	0.0175
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0118	0.4963
Brugia malayi	MH2 domain containing protein	0.0258	0.0698	0.0693
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0032	0.0049	0.004
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0094	0.0228	0.075
Schistosoma mansoni	protein kinase	0.1046	0.2954	0.2954
Brugia malayi	RNA binding protein	0.0035	0.0058	0.0052
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0024	0.0028	0.0022
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.2474	0.7041	0.7065
Schistosoma mansoni	hypothetical protein	0.0016	0.0006	0.0006
Echinococcus granulosus	Vam6:Vps39 protein	0.1034	0.2918	0.2922
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0094	0.0228	0.0311
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.0173	0.7477
Schistosoma mansoni	tar DNA-binding protein	0.0035	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0116	0.0111
Loa Loa (eye worm)	hypothetical protein	0.1034	0.2918	0.2924
Trypanosoma cruzi	target of rapamycin kinase 3	0.0075	0.0173	0.0561
Schistosoma mansoni	Smad4	0.0018	0.0009	0.0009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.0173	0.7477
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1046	0.2954	0.2958
Brugia malayi	MH2 domain containing protein	0.0018	0.0009	0.0003
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0094	0.0228	1
Brugia malayi	Protein kinase domain containing protein	0.1046	0.2954	0.295
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.0009	0.0009
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0032	0.0049	0.0043
Echinococcus granulosus	protein kinase	0.2474	0.7041	0.7064
Entamoeba histolytica	hypothetical protein	0.0076	0.0175	0.7589
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0018	0.001	0.001
Entamoeba histolytica	hypothetical protein	0.0076	0.0175	0.7589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.008	0.0189	0.8197
Brugia malayi	hypothetical protein	0.0076	0.0175	0.0169
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.0173	0.7477
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0075	0.0173	0.0561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4327
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1046	0.2954	0.2958
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4316
Brugia malayi	TAR-binding protein	0.0035	0.0058	0.0052
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0094	0.0228	0.075
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.0118	0.4963
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1034	0.2918	0.2918
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0075	0.0173	0.7477
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0032	0.0049	0.0135
Brugia malayi	Temporarily assigned gene name protein 59	0.1034	0.2918	0.2913
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1034	0.2918	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0014	0.0008
Echinococcus multilocularis	tumor protein p63	0.0375	0.1032	0.1454
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0018	0.001	0.001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4327
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1034	0.2918	1
Brugia malayi	Smad1	0.0018	0.0009	0.0003
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.3496	0.9964	1
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1034	0.2918	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0056	0.012	0.5037
Loa Loa (eye worm)	hypothetical protein	0.1034	0.2918	0.2924
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.001
Toxoplasma gondii	target of rapamycin (TOR), putative	0.007	0.0159	1
Schistosoma mansoni	microtubule-associated protein tau	0.1826	0.5184	0.5184
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1046	0.2954	0.4187
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0094	0.0228	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0018	0.001	0.0004
Loa Loa (eye worm)	hypothetical protein	0.3496	0.9964	1
Echinococcus granulosus	tumor protein p63	0.0375	0.1032	0.1027
Loa Loa (eye worm)	phosphatidylinositol 3	0.0032	0.0049	0.0043
Brugia malayi	MH1 domain containing protein	0.0018	0.0009	0.0003
Echinococcus granulosus	tar DNA binding protein	0.0035	0.0058	0.0049
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0094	0.0228	0.0219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0104	0.4316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0175	0.0167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Onchocerca volvulus		0.1034	0.2918	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1046	0.2954	0.2958
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0094	0.0228	0.0228
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0016	0.0266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0049	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0159	0.684
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0009	0.0009
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.0009	0.0003
Schistosoma mansoni	smad1 5 8 and	0.0018	0.0009	0.0009
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1034	0.2918	0.4136

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 837086