TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 233.311 | Formula: C7H11N3O2S2
H donors: 0 H acceptors: 1 LogP: 1.46 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)/N=c/1\ssc(n1)N(C)C
InChi: 1S/C7H11N3O2S2/c1-4-12-7(11)9-5-8-6(10(2)3)14-13-5/h4H2,1-3H3/b9-5-
InChiKey: SUDCFPPAPCRBTM-UITAMQMPSA-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
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1146	0.293	0.2941
Loa Loa (eye worm)	TAR-binding protein	0.007	0.011	0.011
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.019	0.0423	0.1404
Loa Loa (eye worm)	MH2 domain-containing protein	0.0035	0.0016	0.0016
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.019	0.0423	0.0423
Entamoeba histolytica	hypothetical protein	0.0151	0.0322	0.7489
Schistosoma mansoni	serine/threonine protein kinase	0.1146	0.293	0.293
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1132	0.2894	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.011	0.011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0321	0.7477
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0035	0.0016	0.0017
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.011	0.011
Schistosoma mansoni	protein kinase	0.271	0.7031	0.7031
Loa Loa (eye worm)	hypothetical protein	0.1132	0.2894	0.2904
Loa Loa (eye worm)	hypothetical protein	0.0105	0.02	0.0201
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0423	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0092	0.0092
Schistosoma mansoni	rap gtpase-activating protein	0.1132	0.2894	0.2894
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1146	0.293	0.3072
Echinococcus multilocularis	Smad4	0.0035	0.0016	0.0017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0092	0.1803
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0151	0.0322	0.0323
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0035	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4327
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0063	0.0063
Brugia malayi	MH1 domain containing protein	0.0035	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0127	0.0259	0.594
Echinococcus multilocularis	smad	0.0035	0.0016	0.0017
Echinococcus granulosus	smad	0.0035	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0223	0.5037
Loa Loa (eye worm)	RNA binding protein	0.007	0.011	0.011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0321	0.7477
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.009	0.0161	0.0491
Echinococcus multilocularis		0.271	0.7031	0.7372
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0092	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0092	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4316
Loa Loa (eye worm)	MH2 domain-containing protein	0.0508	0.1258	0.1262
Schistosoma mansoni	microtubule-associated protein tau	0.3666	0.9538	0.9538
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4316
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.019	0.0423	0.0425
Schistosoma mansoni	tar DNA-binding protein	0.007	0.011	0.011
Echinococcus granulosus	microtubule associated protein 2	0.3666	0.9538	0.9573
Loa Loa (eye worm)	MH1 domain-containing protein	0.0035	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0123	0.0248	0.5673
Echinococcus granulosus	Smad4	0.0035	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.1132	0.2894	0.2904
Loa Loa (eye worm)	phosphatidylinositol 3	0.019	0.0423	0.0425
Schistosoma mansoni	protein kinase	0.3842	1	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0027	0.0027
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0063	0.0064
Echinococcus granulosus	mothers against decapentaplegic 5	0.0035	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.004	0.003	0.003
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0064	0.0092	0.0097
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.011	0.011
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0151	0.0322	0.6934
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0064	0.0092	0.0092
Brugia malayi	Smad1	0.0035	0.0016	0.0016
Echinococcus multilocularis	tar DNA binding protein	0.007	0.011	0.0115
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.019	0.0423	0.0423
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0064	0.0092	0.0093
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.0019	0.0019
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.019	0.0423	0.0443
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0064	0.0092	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0063	0.0064
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.0092	0.0093
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0423	1
Echinococcus granulosus	tar DNA binding protein	0.007	0.011	0.011
Schistosoma mansoni	tar DNA-binding protein	0.007	0.011	0.011
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1132	0.2894	0.2894
Loa Loa (eye worm)	hypothetical protein	0.1132	0.2894	0.2904
Brugia malayi	MH2 domain containing protein	0.0508	0.1258	0.1258
Brugia malayi	RNA binding protein	0.007	0.011	0.011
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1146	0.293	0.2941
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.019	0.0423	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0151	0.0322	0.1051
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0141	0.0295	1
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1146	0.293	0.3072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.022	0.4963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.019	0.0423	1
Onchocerca volvulus		0.1132	0.2894	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.004	0.003	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Schistosoma mansoni	hypothetical protein	0.1132	0.2894	0.2894
Brugia malayi	Temporarily assigned gene name protein 59	0.1132	0.2894	0.2894
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0112	0.022	0.4963
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.3829	0.9964	1
Schistosoma mansoni	vam6/vps39 related	0.1132	0.2894	0.2894
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4327
Echinococcus granulosus	serine protein kinase ATM	0.0036	0.0019	0.0019
Echinococcus granulosus	tumor protein p63	0.0715	0.1801	0.1808
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.003	0.0266
Brugia malayi	hypothetical protein	0.1132	0.2894	0.2894
Loa Loa (eye worm)	hypothetical protein	0.0036	0.002	0.002
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0036	0.0019	0.0019
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0064	0.0092	0.0253
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0036	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0059	0.0976
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1132	0.2894	0.2894
Schistosoma mansoni	protein kinase	0.1146	0.293	0.293
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.019	0.0423	0.1404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0321	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Onchocerca volvulus		0.0105	0.02	0.0691
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0016	0.0016
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0079	0.0132	0.0392
Giardia lamblia	GTOR	0.019	0.0423	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0035	0.0016	0.0017
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0064	0.0092	0.0253
Echinococcus multilocularis	serine protein kinase ATM	0.0036	0.0019	0.002
Echinococcus multilocularis	tumor protein p63	0.0715	0.1801	0.1888
Schistosoma mansoni	Smad4	0.0035	0.0016	0.0016
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.3829	0.9964	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.019	0.0423	0.1404
Schistosoma mansoni	hypothetical protein	0.0036	0.002	0.002
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1146	0.293	0.3072
Echinococcus granulosus	protein kinase	0.271	0.7031	0.7057
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1146	0.293	0.2941
Loa Loa (eye worm)	Smad1	0.0035	0.0016	0.0016
Entamoeba histolytica	hypothetical protein	0.0151	0.0322	0.7489
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0036	0.0019	0.0019
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4316
Brugia malayi	MH2 domain containing protein	0.0035	0.0016	0.0016
Echinococcus granulosus	Vam6:Vps39 protein	0.1132	0.2894	0.2904
Schistosoma mansoni	hypothetical protein	0.0151	0.0322	0.0322
Brugia malayi	MH1 domain containing protein	0.0035	0.0016	0.0016
Schistosoma mansoni	cellular tumor antigen P53	0.0105	0.02	0.02
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0321	0.7477
Schistosoma mansoni	tar DNA-binding protein	0.007	0.011	0.011
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1132	0.2894	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.019	0.0423	0.1404
Schistosoma mansoni	smad	0.0035	0.0016	0.0016
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0016	0.0016
Brugia malayi	MH2 domain containing protein	0.0035	0.0016	0.0016
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.271	0.7031	0.7057
Brugia malayi	TAR-binding protein	0.007	0.011	0.011
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0063	0.0063
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.019	0.0423	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0508	0.1258	0.1262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0092	0.1803
Schistosoma mansoni	serine/threonine protein kinase	0.1146	0.293	0.293
Brugia malayi	hypothetical protein	0.0151	0.0322	0.0322
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0223	0.5037
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1132	0.2894	0.3034
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1132	0.2894	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0141	0.0295	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0223	0.5037
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0151	0.0321	0.7477
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1132	0.2894	0.2904
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.0092	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4327
Schistosoma mansoni	tar DNA-binding protein	0.007	0.011	0.011
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.019	0.0423	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0194	0.4327
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0151	0.0322	0.0337
Brugia malayi	Protein kinase domain containing protein	0.1146	0.293	0.293
Entamoeba histolytica	hypothetical protein	0.0151	0.0322	0.7489
Schistosoma mansoni	transcription factor LCR-F1	0.0151	0.0322	0.0322
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0162	0.035	0.8197
Entamoeba histolytica	hypothetical protein	0.0151	0.0322	0.7489
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0151	0.0322	0.1051
Echinococcus multilocularis	microtubule associated protein 2	0.3666	0.9538	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0036	0.0019	0.002
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0064	0.0092	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0019	0.0019
Schistosoma mansoni	smad1 5 8 and	0.0035	0.0016	0.0016
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1146	0.293	0.2941
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.019	0.0423	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0035	0.0016	0.0016

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1989968

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 1608392