TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.293 | Formula: C13H9N3O4S
H donors: 0 H acceptors: 5 LogP: 2.08 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: [O-][N+](=O)c1cccc(c1)S(=O)(=O)n1ccc2c1cccn2
InChi: 1S/C13H9N3O4S/c17-16(18)10-3-1-4-11(9-10)21(19,20)15-8-6-12-13(15)5-2-7-14-12/h1-9H
InChiKey: WNMBRGNYTPSYFO-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	Starlite/ChEMBL	References

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 cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0151	0.5102
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.06
Brugia malayi	Sema domain containing protein	0.0009	0.007	0.002
Leishmania major	diacylglycerol kinase, putative	0.002	0.0295	1
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0311	1
Trypanosoma brucei	diacylglycerol kinase, putative	0.002	0.0295	1
Treponema pallidum	ATP-dependent DNA helicase	0.0005	0.000000000079215	0.5
Echinococcus granulosus	ceramide kinase	0.002	0.0295	0.0237
Schistosoma mansoni	hypothetical protein	0.002	0.0295	0.0295
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0.0094	0.0035
Schistosoma mansoni	semaphorin 5-related	0.0009	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0305	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.007
Loa Loa (eye worm)	plexin A	0.0025	0.0378	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0136	0.0136
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.2217	0.2217
Trypanosoma cruzi	Sphingosine kinase	0.002	0.0295	1
Schistosoma mansoni	diacylglycerol kinase theta	0.002	0.0295	0.0295
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.002	0.0295	1
Schistosoma mansoni	DNA helicase recq5	0.001	0.0094	0.0094
Trypanosoma cruzi	Diacylglycerol kinase catalytic domain containing protein, putative	0.002	0.0295	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.0213	0.7212
Brugia malayi	hypothetical protein	0.0036	0.06	0.105
Brugia malayi	Diacylglycerol kinase protein 2	0.002	0.0295	0.0458
Trypanosoma brucei	Diacylglycerol kinase catalytic domain containing protein, putative	0.002	0.0295	1
Loa Loa (eye worm)	eye-specific diacylglycerol kinase	0.002	0.0295	0.0295
Loa Loa (eye worm)	sema domain-containing protein	0.0009	0.007	0.007
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0094	0.0067
Loa Loa (eye worm)	hypothetical protein	0.002	0.0295	0.0295
Loa Loa (eye worm)	hypothetical protein	0.002	0.0295	0.0295
Toxoplasma gondii	diacylglycerol kinase accessory domain (presumed) domain-containing protein	0.002	0.0295	1
Mycobacterium ulcerans	hypothetical protein	0.0523	1	1
Trichomonas vaginalis	bmru protein, putative	0.002	0.0295	0.0286
Plasmodium vivax	diacylglycerol kinase, putative	0.002	0.0295	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.06	0.0543
Echinococcus multilocularis	semaphorin 5B	0.0009	0.007	0.0011
Trypanosoma cruzi	diacylglycerol kinase, putative	0.002	0.0295	1
Brugia malayi	MH2 domain containing protein	0.012	0.2217	0.4195
Echinococcus granulosus	semaphorin 5B	0.0009	0.007	0.0011
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.002	0.0295	0.0286
Onchocerca volvulus		0.002	0.0295	0.9603
Onchocerca volvulus		0.0021	0.0305	1
Loa Loa (eye worm)	ceramide kinase	0.002	0.0295	0.0295
Trichomonas vaginalis	conserved hypothetical protein	0.002	0.0295	0.0286
Echinococcus multilocularis	sphingosine kinase 1	0.0523	1	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0094	0.0094
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0.0094	0.0035
Schistosoma mansoni	sphingosine kinase A B	0.0523	1	1
Schistosoma mansoni	hypothetical protein	0.0009	0.007	0.007
Entamoeba histolytica	hypothetical protein, conserved	0.0523	1	1
Trypanosoma cruzi	diacylglycerol kinase, putative	0.002	0.0295	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0295	0.0295
Schistosoma mansoni	DNA helicase recq1	0.001	0.0094	0.0094
Echinococcus multilocularis	Diacylglycerol kinase theta	0.002	0.0295	0.0237
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0.0094	0.0035
Schistosoma mansoni	Smad4	0.0008	0.006	0.006
Trichomonas vaginalis	diacylglycerol kinase, putative	0.002	0.0295	0.0286
Leishmania major	sphingosine kinase A, B, putative	0.002	0.0295	1
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0367	0.031
Plasmodium falciparum	diacylglycerol kinase, putative	0.002	0.0295	0.9282
Trichomonas vaginalis	diacylglycerol kinase, epsilon, putative	0.002	0.0295	0.0286
Schistosoma mansoni	smad	0.0008	0.006	0.006
Schistosoma mansoni	plexin	0.0021	0.0305	0.0305
Brugia malayi	Eye-specific diacylglycerol kinase	0.002	0.0295	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.007
Entamoeba histolytica	diacylglycerol kinase, putative	0.002	0.0295	0.0295
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.06	0.06
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.006	0.006
Echinococcus multilocularis	Diacylglycerol kinase zeta	0.002	0.0295	0.0237
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.002	0.0295	0.0295
Brugia malayi	Plexin repeat family protein	0.0021	0.0305	0.0476
Echinococcus multilocularis	plexin a4	0.0025	0.0378	0.0321
Leishmania major	hypothetical protein, conserved	0.002	0.0295	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.007
Echinococcus granulosus	semaphorin 1A	0.0009	0.007	0.0011
Mycobacterium tuberculosis	Conserved protein	0.0523	1	1
Brugia malayi	Ceramide kinase	0.002	0.0295	0.0458
Plasmodium vivax	diacylglycerol kinase, putative	0.002	0.0295	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0136	0.0136
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0094	0.3189
Brugia malayi	Sema domain containing protein	0.0009	0.007	0.002
Echinococcus granulosus	acylglycerol kinase mitochondrial	0.002	0.0295	0.0237
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.06
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.2217	0.2217
Loa Loa (eye worm)	Smad1	0.0008	0.006	0.006
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.007
Loa Loa (eye worm)	hypothetical protein	0.0523	1	1
Echinococcus multilocularis	acylglycerol kinase, mitochondrial	0.002	0.0295	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.007
Leishmania major	diacylglycerol kinase-like protein	0.002	0.0295	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.002	0.0295	0.0295
Schistosoma mansoni	hypothetical protein	0.0036	0.06	0.06
Loa Loa (eye worm)	glutaminase	0.0275	0.5202	0.5202
Echinococcus granulosus	Diacylglycerol kinase zeta	0.002	0.0295	0.0237
Trypanosoma cruzi	Sphingosine kinase	0.002	0.0295	1
Brugia malayi	diacylglycerol kinase	0.002	0.0295	0.0458
Echinococcus multilocularis	ceramide kinase	0.002	0.0295	0.0237
Trichomonas vaginalis	diacylglycerol kinase, zeta, iota, putative	0.002	0.0295	0.0286
Leishmania major	hypothetical protein, conserved	0.002	0.0295	1
Loa Loa (eye worm)	sema domain-containing protein	0.0009	0.007	0.007
Schistosoma mansoni	smad1 5 8 and	0.0008	0.006	0.006
Brugia malayi	diacylglycerol kinase	0.002	0.0295	0.0458
Brugia malayi	plexin A	0.0025	0.0378	0.062
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0094	0.0067
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.0094	0.3189
Schistosoma mansoni	diacylglycerol kinase theta	0.002	0.0295	0.0295
Schistosoma mansoni	diacylglycerol kinase zeta iota	0.002	0.0295	0.0295
Trichomonas vaginalis	bmru protein, putative	0.002	0.0295	0.0286
Trichomonas vaginalis	glutaminase, putative	0.0275	0.5202	1
Brugia malayi	hypothetical protein	0.0009	0.007	0.002
Plasmodium falciparum	diacylglycerol kinase, putative	0.002	0.0295	0.9282
Schistosoma mansoni	sphingoid long chain base kinase	0.0523	1	1
Schistosoma mansoni	smad1 5 8 and	0.0008	0.006	0.006
Echinococcus multilocularis	hypothetical protein	0.0009	0.007	0.0011
Trichomonas vaginalis	sphingosine kinase, putative	0.002	0.0295	0.0286
Loa Loa (eye worm)	diacylglycerol kinase 2	0.002	0.0295	0.0295
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.006	0.006
Trypanosoma brucei	Sphingosine kinase	0.002	0.0295	1
Entamoeba histolytica	diacylglycerol kinase, putative	0.002	0.0295	0.0295
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0.0094	0.0094
Loa Loa (eye worm)	glutaminase 2	0.0275	0.5202	0.5202
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.06
Trichomonas vaginalis	diacylglycerol kinase, putative	0.002	0.0295	0.0286
Schistosoma mansoni	plexin	0.0012	0.0136	0.0136
Trypanosoma brucei	hypothetical protein, conserved	0.002	0.0295	1
Toxoplasma gondii	diacylglycerol kinase catalytic domain-containing protein	0.002	0.0295	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.027	0.027
Loa Loa (eye worm)	hypothetical protein	0.0121	0.2245	0.2245
Brugia malayi	hypothetical protein	0.0009	0.007	0.002
Trypanosoma cruzi	diacylglycerol kinase-like protein, putative	0.002	0.0295	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.06	0.0543
Schistosoma mansoni	hypothetical protein	0.0009	0.007	0.007
Echinococcus granulosus	Diacylglycerol kinase theta	0.002	0.0295	0.0237
Schistosoma mansoni	smad1 5 8 and	0.0008	0.006	0.006
Loa Loa (eye worm)	hypothetical protein	0.0009	0.007	0.007
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0367	0.0429
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0367	0.031
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0367	0.0598
Entamoeba histolytica	diacylglycerol kinase, putative	0.002	0.0295	0.0295
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0367	0.0429
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0367	0.0367
Brugia malayi	hypothetical protein	0.002	0.0295	0.0458
Entamoeba histolytica	hypothetical protein	0.0036	0.06	0.06
Trypanosoma cruzi	hypothetical protein, conserved	0.002	0.0295	1
Echinococcus granulosus	plexin a4	0.0025	0.0378	0.0321
Mycobacterium ulcerans	glutaminase	0.0275	0.5202	0.5056
Schistosoma mansoni	glutaminase	0.0275	0.5202	0.5202
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0.0094	0.0035
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0.0094	0.5
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0151	0.0151
Onchocerca volvulus	Ceramide kinase 1 homolog	0.002	0.0295	0.9603
Trichomonas vaginalis	sphingosine kinase, putative	0.002	0.0295	0.0286
Brugia malayi	glutaminase DH11.1	0.0275	0.5202	1
Toxoplasma gondii	diacylglycerol kinase, putative	0.002	0.0295	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 70 nM	Inhibition of human recombinant His-tagged c-Met by TR-FRET assay	ChEMBL.	19369077
IC50 (binding)	= 70 nM	Inhibition of human c-MET	ChEMBL.	21641696

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: CHEMBL563356

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1063514