TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.335 | Formula: C14H13N3O5S
H donors: 1 H acceptors: 6 LogP: 0.11 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)Cc1noc(n1)C1=C(O)c2ccccc2S(=O)(=O)N1C
InChi: 1S/C14H13N3O5S/c1-8(18)7-11-15-14(22-16-11)12-13(19)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-6,19H,7H2,1-2H3
InChiKey: MIORZODKHPXETJ-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	DNA polymerase kappa, putative	0.005	0.1276	0.4754
Echinococcus granulosus	dna polymerase eta	0.0091	0.2616	0.9817
Schistosoma mansoni	hypothetical protein	0.0042	0.1002	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2616	0.2349
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.003	0.0625	0.2323
Loa Loa (eye worm)	glutaminase	0.0318	1	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0022	0.0348	0.0961
Echinococcus granulosus	expressed protein	0.0039	0.0904	0.2409
Brugia malayi	Bloom's syndrome protein homolog	0.0053	0.1357	0.1046
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0093	0.2658	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0348	0.2832
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0062	0.165	0.5637
Trypanosoma brucei	DNA damage repair protein, putative	0.0019	0.0263	0.0909
Leishmania major	DNA polymerase eta, putative	0.0091	0.2616	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0042	0.0995	0.0753
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0027	0.0513	0.4175
Loa Loa (eye worm)	flap endonuclease-1	0.003	0.0625	0.0288
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0062	0.165	0.1425
Trypanosoma brucei	unspecified product	0.0043	0.1026	0.3805
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.0263	0.0909
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0093	0.2658	1
Entamoeba histolytica	hypothetical protein	0.0042	0.1002	0.6073
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0093	0.2658	1
Echinococcus multilocularis	dna polymerase kappa	0.0093	0.2658	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.005	0.1271	0.4734
Entamoeba histolytica	hypothetical protein	0.0042	0.1002	0.6073
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.1002	0.0759
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0028	0.0557	0.2024
Giardia lamblia	Sgs1 DNA helicase, putative	0.0022	0.0348	0.052
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0039	0.0904	0.0577
Trichomonas vaginalis	flap endonuclease-1, putative	0.003	0.0625	0.0073
Toxoplasma gondii	peptidylprolyl isomerase	0.0038	0.0875	0.7121
Brugia malayi	polk-prov protein	0.005	0.1271	0.0956
Schistosoma mansoni	glutaminase	0.0318	1	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0093	0.2658	1
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0039	0.0904	0.0577
Giardia lamblia	Flap structure-specific endonuclease	0.003	0.0625	0.2215
Mycobacterium ulcerans	DNA polymerase IV	0.0093	0.2658	0.246
Echinococcus granulosus	flap endonuclease 1	0.003	0.0625	0.1202
Trypanosoma brucei	DNA polymerase kappa, putative	0.005	0.1276	0.4754
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.003	0.0625	0.2286
Leishmania major	DNA polymerase kappa, putative	0.0069	0.19	0.724
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Schistosoma mansoni	DNA polymerase eta	0.0091	0.2616	0.2416
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0093	0.2658	0.2225
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0038	0.0875	0.3231
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0069	0.19	1
Trichomonas vaginalis	rotamase, putative	0.0038	0.0875	0.0337
Trypanosoma brucei	DNA polymerase kappa, putative	0.005	0.1276	0.4754
Trypanosoma cruzi	DNA damage repair protein, putative	0.0019	0.0263	0.0909
Trypanosoma brucei	DNA polymerase kappa, putative	0.005	0.1271	0.4734
Leishmania major	DNA damage repair protein, putative	0.0019	0.0263	0.0924
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0028	0.0557	0.2024
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0348	0.0087
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.003	0.0625	0.5092
Mycobacterium ulcerans	glutaminase	0.0318	1	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0263	0.0924
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0035	0.0787	0.6405
Trichomonas vaginalis	DNA helicase recq1, putative	0.0053	0.1357	0.0848
Trichomonas vaginalis	glutaminase, putative	0.0318	1	1
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0348	0.0087
Echinococcus granulosus	bloom syndrome protein	0.0053	0.1357	0.4369
Schistosoma mansoni	flap endonuclease-1	0.0027	0.0531	0.0275
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma cruzi	DNA damage repair protein, putative	0.0019	0.0263	0.0909
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0904	0.0368
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0069	0.19	0.724
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0062	0.165	1
Toxoplasma gondii	PPIC-type PPIASE domain-containing protein	0.0012	0.0023	0.019
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0038	0.0875	0.3284
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0046	0.1148	1
Trichomonas vaginalis	rotamase, putative	0.0039	0.0904	0.0368
Echinococcus multilocularis	flap endonuclease 1	0.003	0.0625	0.1202
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0019	0.0263	0.2139
Echinococcus multilocularis	dna polymerase eta	0.0091	0.2616	0.9817
Brugia malayi	Flap endonuclease-1	0.003	0.0625	0.0288
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Plasmodium falciparum	flap endonuclease 1	0.003	0.0625	0.4096
Trichomonas vaginalis	DNA helicase recq, putative	0.0053	0.1357	0.0848
Leishmania major	DNA polymerase eta, putative	0.0049	0.1228	0.4648
Trypanosoma brucei	DNA damage repair protein, putative	0.0019	0.0263	0.0909
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.003	0.0625	0.2286
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma brucei	unspecified product	0.0085	0.2408	0.9051
Loa Loa (eye worm)	hypothetical protein	0.005	0.1271	0.0956
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0049	0.1228	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0062	0.165	0.1349
Trypanosoma brucei	unspecified product	0.0043	0.1026	0.3805
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0062	0.165	0.1425
Loa Loa (eye worm)	glutaminase 2	0.0318	1	1
Brugia malayi	hypothetical protein	0.0042	0.1002	0.0678
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.1002	0.2832
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0085	0.2408	0.9051
Entamoeba histolytica	hypothetical protein	0.0042	0.1002	0.6073
Trypanosoma cruzi	DNA polymerase eta, putative	0.0091	0.2616	0.9839
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.1002	0.2832
Trypanosoma brucei	chrX additional, unordered contigs	0.0019	0.0263	0.0909
Trypanosoma brucei	DNA polymerase IV, putative	0.0093	0.2658	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0091	0.2616	0.9839
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Trypanosoma brucei	hypothetical protein, conserved	0.0019	0.0263	0.0909
Entamoeba histolytica	hypothetical protein	0.0042	0.1002	0.6073
Trichomonas vaginalis	DNA polymerase eta, putative	0.0093	0.2658	0.2225
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0038	0.0875	0.3231
Giardia lamblia	DINP protein human, muc B family	0.0069	0.19	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0019	0.0263	0.0909
Echinococcus multilocularis	bloom syndrome protein	0.0053	0.1357	0.4369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0093	0.2658	1
Entamoeba histolytica	Flap nuclease, putative	0.003	0.0625	0.3791
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.1228	0.4574
Plasmodium vivax	flap endonuclease 1, putative	0.003	0.0625	0.6745
Echinococcus granulosus	dna polymerase kappa	0.0093	0.2658	1
Schistosoma mansoni	rotamase	0.0039	0.0904	0.0659
Echinococcus multilocularis	expressed protein	0.0039	0.0904	0.2409
Loa Loa (eye worm)	RecQ helicase	0.0053	0.1357	0.1046
Mycobacterium ulcerans	DNA polymerase IV	0.0093	0.2658	0.246
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0348	0.2832
Brugia malayi	ImpB/MucB/SamB family protein	0.0091	0.2616	0.2349
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0038	0.0875	0.5301
Brugia malayi	ImpB/MucB/SamB family protein	0.0062	0.165	0.1349
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0028	0.0557	0.2057
Wolbachia endosymbiont of Brugia malayi	parvulin-like peptidyl-prolyl isomerase, PPID	0.0012	0.0023	0.5
Entamoeba histolytica	recQ family helicase, putative	0.0028	0.0557	0.3373
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0062	0.165	0.5637
Trypanosoma brucei	DNA polymerase kappa, putative	0.0069	0.19	0.7123
Trypanosoma brucei	hypothetical protein, conserved	0.0019	0.0263	0.0909
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0036	0.0801	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.4864	0.4679
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0038	0.0875	0.3231

Activities

Activity type	Activity value	Assay description	Source	Reference
MED (functional)	NA 0 mg kg-1	Antiinflammatory activity was assessed in carrageenin-induced rat paw edema(CIRPE) test after po administration; Inactive at 100 mg/kg	ChEMBL.	7086815

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 75807