TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.371 | Formula: C16H14N4O6S
H donors: 3 H acceptors: 7 LogP: -4.17 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NNC(=O)/C=C/C1=C(C(=O)O)N2[C@H](S(=O)(=O)C1)/C(=C\c1ccccn1)/C2=O
InChi: 1S/C16H14N4O6S/c17-19-12(21)5-4-9-8-27(25,26)15-11(7-10-3-1-2-6-18-10)14(22)20(15)13(9)16(23)24/h1-7,15H,8,17H2,(H,19,21)(H,23,24)/b5-4+,11-7-/t15-/m1/s1
InChiKey: JVRIATQTYCXBQM-DJCQWRMKSA-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 multilocularis	expressed conserved protein	0.0081	0.0409	0.0286
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0078	0.0385	0.4112
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0093	0.0535	0.0783
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0114	0.0737	0.1143
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0293	0.0401
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.7105
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0708	0.8712
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0535	0.0831
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0052	0.0126	0.0419
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0613	0.5695	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0058	0.0182	0.1001
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.7105
Loa Loa (eye worm)	hypothetical protein	0.0336	0.2946	0.5115
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0093	0.0535	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.012	0.0798	0.2243
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0108	0.0685	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0069	0.0293	0.0401
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0306	0.2989
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.7105
Entamoeba histolytica	hypothetical protein	0.0052	0.0126	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0126	0.0104
Brugia malayi	SH2 domain containing protein	0.0336	0.2946	0.5089
Loa Loa (eye worm)	phosphatidylinositol 3	0.012	0.0798	0.1298
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.009	0.0505	0.0383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.71
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0052	0.0126	0.0094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0798	1
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0086	0.0458	0.0336
Mycobacterium ulcerans	zinc metalloprotease	0.0093	0.0535	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0505	0.5817
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0049	0.0097	0.0138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0126	0.0419
Trypanosoma cruzi	hypothetical protein, conserved	0.0364	0.3223	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0398	0.0587
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.012	0.0798	0.1006
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0111	0.0708	0.8717
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0309	0.043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0708	0.8712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0505	0.5817
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0114	0.0737	0.9127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0306	0.2989
Giardia lamblia	GTOR	0.012	0.0798	1
Onchocerca volvulus		0.0046	0.0067	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.009	0.0505	0.1305
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.012	0.0798	0.068
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0505	0.5817
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0126	0.0419
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0309	0.043
Echinococcus granulosus	expressed conserved protein	0.0081	0.0409	0.0286
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0083	0.0436	0.4832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0708	0.8712
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0309	0.043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0798	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0111	0.0708	0.1955
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0052	0.0126	0.0419
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0069	0.0293	0.0401
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.0398	0.0275
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0094	0.054	0.6326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0708	0.8712
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.71
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0052	0.0126	0.0333
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.012	0.0798	0.4788
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0052	0.0126	0.0094
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0505	0.5817
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0182	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0293	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0535	0.0831
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1047	1	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0064	0.0239	0.2998
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0618	0.743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0618	0.743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0082	0.0419	0.4602
Loa Loa (eye worm)	phosphatidylinositol 3	0.009	0.0505	0.0777
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.012	0.0798	1
Leishmania major	hypothetical protein, conserved	0.0384	0.3418	1
Echinococcus granulosus	endothelin converting enzyme 1	0.0093	0.0535	0.0414
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.009	0.0505	0.0728
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.71
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.012	0.0798	0.2243
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.009	0.0505	0.5817
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0052	0.0126	0.0419
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Trichomonas vaginalis	PIKK family atypical protein kinase	0.012	0.0798	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.0126	0.0052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0111	0.0708	0.0698
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0114	0.0737	0.2047
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0114	0.0737	0.2047
Brugia malayi	Peptidase family M13 containing protein	0.0093	0.0535	0.0783
Loa Loa (eye worm)	phosphatidylinositol 3	0.0179	0.1387	0.2345
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.012	0.0798	0.068
Schistosoma mansoni	hypothetical protein	0.0081	0.0409	0.2209
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0309	0.043
Toxoplasma gondii	peptidase family M13 protein	0.0093	0.0535	0.7324
Trichomonas vaginalis	PIKK family atypical protein kinase	0.007	0.0306	0.2989
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0182	0.1216
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0293	0.0401
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.012	0.0798	0.1252
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0199	0.1584	1
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0086	0.0458	0.0336
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0093	0.0535	0.3047
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0199	0.1584	0.1476
Mycobacterium leprae	probable zinc metalloprotease	0.0093	0.0535	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0309	0.043
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0085	0.0455	0.064
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.012	0.0798	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.009	0.0505	0.5817
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0114	0.0737	0.9127
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0114	0.0737	0.9127
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.012	0.0798	0.1006
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0114	0.0737	0.9127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.009	0.0505	0.5817
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0052	0.0126	0.0333
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0073	0.0329	0.3314
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.009	0.0505	0.0383
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.006	0.0202	0.1494
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0309	0.043
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0067	0.0272	0.2504
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0199	0.1584	0.1476
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.012	0.0798	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0708	0.8712
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.008	0.0398	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0535	0.0831
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.009	0.0505	0.1305
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0099	0.0595	0.7105
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.009	0.0505	0.2843
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.0126	0.0052
Brugia malayi	Angiotensin-converting enzyme family protein	0.0613	0.5695	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0293	0.0401
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0685	0.8387
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0094	0.0541	0.6339
Echinococcus multilocularis	endothelin converting enzyme 1	0.0093	0.0535	0.0414
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0083	0.0436	0.4832
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.008	0.0398	0.0275
Entamoeba histolytica	protein kinase rad3, putative	0.0052	0.0126	0.0419
Entamoeba histolytica	hypothetical protein	0.0094	0.054	0.6326
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.012	0.0798	1

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: CHEMBL1205033

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 944883