TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 227.201 | Formula: C6H5N5O3S
H donors: 1 H acceptors: 4 LogP: 0.59 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1ccc(o1)c1nnc(n1N)S
InChi: 1S/C6H5N5O3S/c7-10-5(8-9-6(10)15)3-1-2-4(14-3)11(12)13/h1-2H,7H2,(H,9,15)
InChiKey: NKFATAPKGWEAOL-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	TK/ABL protein kinase	0.0504	0.0531	0.0531
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0084	0.0055	0.0055
Brugia malayi	hypothetical protein	0.0101	0.0074	0.0074
Echinococcus granulosus	c src tyrosine kinase	0.0051	0.0017	0.0017
Schistosoma mansoni	neuroglian	0.0048	0.0014	0.0014
Brugia malayi	Protein kinase domain containing protein	0.0287	0.0286	0.0285
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0043	0.0008	0.0007
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0149	0.0128	0.0434
Schistosoma mansoni	serine/threonine protein kinase	0.019	0.0175	0.0175
Loa Loa (eye worm)	TK/ROR protein kinase	0.004	0.0004	0.0004
Schistosoma mansoni	tyrosine kinase	0.0084	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0068	0.0068
Schistosoma mansoni	nephrin	0.0048	0.0014	0.0014
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0084	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0074	0.0074
Echinococcus multilocularis	roundabout 2	0.0048	0.0014	0.0014
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0048	0.0014	0.0014
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0084	0.0055	0.0055
Loa Loa (eye worm)	TK protein kinase	0.0054	0.0021	0.002
Echinococcus multilocularis	lachesin	0.0043	0.0008	0.0007
Echinococcus multilocularis	peroxidasin	0.0043	0.0008	0.0007
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0096	0.0068	0.0067
Echinococcus granulosus	roundabout 2	0.0144	0.0123	0.0122
Loa Loa (eye worm)	TK protein kinase	0.0069	0.0038	0.0038
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0043	0.0008	0.0007
Echinococcus multilocularis	tyrosine protein kinase Abl	0.023	0.022	0.022
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Echinococcus multilocularis	protein tyrosine kinase	0.0591	0.0631	0.063
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0048	0.0014	0.0014
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0048	0.0014	0.0014
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0051	0.0017	0.0017
Echinococcus granulosus	dihydrofolate reductase	0.8838	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0084	0.0055	0.0055
Echinococcus granulosus	lachesin	0.0043	0.0008	0.0007
Schistosoma mansoni	cell adhesion molecule	0.0048	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0117	0.0116
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0263	0.0258	0.0258
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0084	0.0055	0.0055
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0244	0.0237	0.0236
Loa Loa (eye worm)	hypothetical protein	0.012	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0068	0.0068
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0101	0.0074	0.0074
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0084	0.0055	0.0055
Echinococcus multilocularis	Immunoglobulin	0.0096	0.0068	0.0067
Echinococcus multilocularis	dihydrofolate reductase	0.8838	1	1
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0244	0.0237	0.0236
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.6752	0.763	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0048	0.0014	0.0014
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0048	0.0014	0.0014
Onchocerca volvulus		0.0037	0.0002	0.0004
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.6752	0.763	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0084	0.0055	0.0055
Echinococcus multilocularis	Immunoglobulin	0.0096	0.0068	0.0067
Echinococcus granulosus	tyrosine protein kinase HCK	0.0054	0.0021	0.002
Loa Loa (eye worm)	thymidylate synthase	0.2625	0.2941	0.2941
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.8838	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Echinococcus granulosus	twitchin	0.0116	0.009	0.009
Loa Loa (eye worm)	CAMK/PHK protein kinase	0.0149	0.0128	0.0128
Schistosoma mansoni	tyrosine kinase	0.0488	0.0514	0.0514
Brugia malayi	hypothetical protein	0.1249	0.1378	0.1377
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0688	0.0741	0.074
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0043	0.0008	0.0025
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0244	0.0237	0.0236
Echinococcus granulosus	tyrosine protein kinase Blk	0.0069	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.02	0.0186	0.0186
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0048	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0014	0.0014
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.6752	0.763	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0084	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Schistosoma mansoni	cell adhesion molecule	0.0048	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Schistosoma mansoni	cell adhesion molecule	0.0125	0.0101	0.0101
Echinococcus granulosus	roundabout 2	0.0048	0.0014	0.0014
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0244	0.0237	0.0236
Schistosoma mansoni	vesicular amine transporter	0.0098	0.0071	0.0071
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0084	0.0055	0.0055
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Echinococcus multilocularis	hemicentin 1	0.0043	0.0008	0.0007
Onchocerca volvulus		0.2625	0.2941	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.8838	1	1
Echinococcus multilocularis	thymidylate synthase	0.2625	0.2941	0.2941
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.019	0.0175	0.0175
Schistosoma mansoni	septate junction protein	0.0043	0.0008	0.0008
Echinococcus granulosus	contactin	0.0048	0.0014	0.0014
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0085	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0234	0.0226	0.0225
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Loa Loa (eye worm)	dihydrofolate reductase	0.8838	1	1
Echinococcus granulosus	phosphorylase kinase gamma subunit	0.0149	0.0128	0.0128
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0069	0.0038	0.0038
Echinococcus multilocularis	roundabout 2	0.0048	0.0014	0.0014
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0069	0.0038	0.0038
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0048	0.0014	0.0014
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0043	0.0008	0.0008
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0084	0.0055	0.0055
Schistosoma mansoni	tyrosine kinase	0.0244	0.0237	0.0237
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0504	0.0531	0.0531
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.2625	0.2941	0.2941
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0054	0.0021	0.002
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.8838	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Echinococcus granulosus	tyrosine kinase	0.0069	0.0038	0.0038
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0042	0.0007	0.0006
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.2625	0.2941	0.1813
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Brugia malayi	Tyrosine-protein kinase abl-1	0.0289	0.0287	0.0287
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.0011	0.0011
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0049	0.0015	0.0015
Echinococcus granulosus	protein tyrosine kinase	0.0591	0.0631	0.063
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0084	0.0055	0.0055
Schistosoma mansoni	tyrosine kinase	0.0064	0.0032	0.0032
Echinococcus granulosus	roundabout 2	0.0048	0.0014	0.0014
Schistosoma mansoni	titin	0.0043	0.0008	0.0008
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0069	0.0038	0.0038
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0042	0.0007	0.0006
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0084	0.0055	0.0055
Echinococcus multilocularis	neuroglian	0.0115	0.0089	0.0089
Echinococcus multilocularis	phosphorylase kinase gamma subunit	0.0149	0.0128	0.0128
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0117	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0036	0	0.0000082593
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0048	0.0014	0.0014
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0048	0.0014	0.0014
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0048	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0688	0.0741	0.074
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0008	0.0008
Schistosoma mansoni	tyrosine kinase	0.0084	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0068	0.0068
Echinococcus granulosus	neuroglian	0.0115	0.0089	0.0089
Echinococcus multilocularis	tyrosine protein kinase otk	0.0043	0.0008	0.0007
Onchocerca volvulus		0.0547	0.0581	0.1973
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0069	0.0038	0.0038
Schistosoma mansoni	cell adhesion molecule	0.0043	0.0008	0.0008
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0043	0.0008	0.0007
Brugia malayi	thymidylate synthase	0.2625	0.2941	0.2941
Brugia malayi	Peroxidasin	0.0043	0.0008	0.0007
Schistosoma mansoni	septate junction protein	0.0043	0.0008	0.0008
Loa Loa (eye worm)	TK/ALK protein kinase	0.0287	0.0286	0.0285
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0043	0.0008	0.0008
Echinococcus multilocularis	c src tyrosine kinase	0.0051	0.0017	0.0017
Schistosoma mansoni	dihydrofolate reductase	0.8838	1	1
Brugia malayi	Prion-like-	0.0043	0.0008	0.0007
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.012	0.0095	0.0095
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0043	0.0008	0.0008
Echinococcus multilocularis	hemicentin 1	0.0043	0.0008	0.0007
Schistosoma mansoni	voltage-gated potassium channel	0.0046	0.0011	0.0011
Schistosoma mansoni	nephrin	0.012	0.0095	0.0095
Schistosoma mansoni	serine/threonine protein kinase	0.0149	0.0128	0.0128
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0084	0.0055	0.0055
Loa Loa (eye worm)	SRC-1	0.0084	0.0055	0.0055
Echinococcus granulosus	Immunoglobulin	0.0096	0.0068	0.0067
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Brugia malayi	SRC-1	0.0084	0.0055	0.0055
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.004	0.0004	0.0004
Onchocerca volvulus	Tyrosine kinase homolog	0.0587	0.0626	0.2127
Schistosoma mansoni	roundabout	0.0043	0.0008	0.0008
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.6752	0.763	0.5
Schistosoma mansoni	tyrosine kinase	0.0051	0.0017	0.0017
Loa Loa (eye worm)	TK protein kinase	0.0263	0.0258	0.0258
Echinococcus granulosus	thymidylate synthase	0.2625	0.2941	0.2941
Chlamydia trachomatis	dihydrofolate reductase	0.8838	1	0.5
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0504	0.0531	0.0531
Schistosoma mansoni	tyrosine kinase	0.0051	0.0017	0.0017
Echinococcus granulosus	neuroglian	0.0048	0.0014	0.0014
Entamoeba histolytica	protein kinase, putative	0.0054	0.0021	1
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0051	0.0017	0.0017
Brugia malayi	Protein kinase domain containing protein	0.0598	0.0638	0.0638
Echinococcus granulosus	defective proboscis extension response	0.0096	0.0068	0.0067
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0096	0.0068	0.0068
Echinococcus multilocularis	roundabout 2	0.0144	0.0123	0.0122
Brugia malayi	Protein kinase domain containing protein	0.0149	0.0128	0.0128
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0051	0.0017	0.0017
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0043	0.0008	0.0007
Brugia malayi	protein-tyrosine kinase	0.0069	0.0038	0.0038
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0084	0.0055	0.0055
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0084	0.0055	0.0055
Schistosoma mansoni	tyrosine kinase	0.0591	0.0631	0.0631
Echinococcus granulosus	peroxidasin	0.0043	0.0008	0.0007
Echinococcus granulosus	hemicentin 1	0.0043	0.0008	0.0007
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0043	0.0008	0.0007
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0048	0.0014	0.0014
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.6752	0.763	0.5
Loa Loa (eye worm)	TK/FAK protein kinase	0.0598	0.0638	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0074	0.0074
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0042	0.0007	0.0006
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0084	0.0055	0.0055
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0043	0.0008	0.0007
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.1115	0.1226	0.1226
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.004	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.1249	0.1378	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0043	0.0008	0.0007
Brugia malayi	Protein kinase domain containing protein	0.019	0.0175	0.0175
Loa Loa (eye worm)	TK/FER protein kinase	0.0036	0	0.0000082593
Brugia malayi	Tyrosine-protein kinase abl-1	0.023	0.022	0.022
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0042	0.0007	0.0006
Echinococcus multilocularis	neuroglian	0.0048	0.0014	0.0014
Brugia malayi	Dihydrofolate reductase	0.8838	1	1
Brugia malayi	Fibronectin type III domain containing protein	0.0101	0.0074	0.0074
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0096	0.0068	0.0068
Echinococcus granulosus	tyrosine protein kinase otk	0.0043	0.0008	0.0007
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.6752	0.763	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0048	0.0014	0.0014

Activities

Activity type	Activity value	Assay description	Source	Reference
MBC (functional)	= 200 ug ml-1	Antibacterial activity against Escherichia coli after 24 hrs by broth dilution method	ChEMBL.	21723735
MIC (functional)	= 25 ug ml-1	Antibacterial activity against Escherichia coli after 24 hrs by broth dilution method	ChEMBL.	21723735

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: CHEMBL1807967

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 1579265