TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 312.346 | Formula: C15H12N4O2S
H donors: 1 H acceptors: 4 LogP: 3.61 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)Nc1scc(n1)c1ccncc1[N+](=O)[O-]
InChi: 1S/C15H12N4O2S/c1-10-3-2-4-11(7-10)17-15-18-13(9-22-15)12-5-6-16-8-14(12)19(20)21/h2-9H,1H3,(H,17,18)
InChiKey: OWDKGYBBWYLTRL-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
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0055	0.1218	0.4225
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0423	0.1217
Loa Loa (eye worm)	RNA binding protein	0.0134	0.3813	0.375
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0022	0.0162	0.0061
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.2745	1
Schistosoma mansoni	ran	0.0022	0.0162	0.0061
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0134	0.3813	0.375
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0162	0.0227
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0236	0.0509
Trypanosoma brucei	protein kinase, putative	0.0055	0.1218	0.4225
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0102	0.2745	1
Echinococcus granulosus	importin subunit beta 1	0.003	0.0423	0.0325
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0102	0.0266
Loa Loa (eye worm)	hypothetical protein	0.003	0.0423	0.0325
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0.0162	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.0162	0.0227
Brugia malayi	Importin beta-1 subunit	0.003	0.0423	0.111
Onchocerca volvulus	Huntingtin homolog	0.0131	0.3707	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.003	0.0423	0.1217
Echinococcus granulosus	mitogen activated protein kinase	0.0055	0.1218	0.1128
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0022	0.0162	0.0009
Brugia malayi	RNA binding protein	0.0134	0.3813	1
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.1218	0.1128
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3813	0.375
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.2746	0.2672
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0162	0.0227
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0055	0.1218	0.4225
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0236	0.0509
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0055	0.1218	1
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0162	0.0227
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0162	0.0228
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3813	0.375
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0102	0.2745	0.267
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.2746	0.2672
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0055	0.1218	0.4225
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0022	0.0162	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0131	0.3707	0.3643
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0102	0.0266
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0236	0.0509
Brugia malayi	hypothetical protein	0.0027	0.0311	0.0816
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0022	0.0162	0.0061
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.1218	0.4225
Echinococcus granulosus	geminin	0.0181	0.5345	0.5297
Loa Loa (eye worm)	hypothetical protein	0.0131	0.3707	0.3643
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0311	0.571
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0162	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0311	0.0792
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0055	0.1218	0.4225
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.0162	0.0227
Schistosoma mansoni	hypothetical protein	0.0181	0.5345	0.5297
Schistosoma mansoni	ran	0.0022	0.0162	0.0061
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0236	0.0509
Schistosoma mansoni	hypothetical protein	0.0181	0.5345	0.5297
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0055	0.1218	0.4225
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0022	0.0162	0.0425
Brugia malayi	hypothetical protein	0.0131	0.3707	0.9722
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0022	0.0162	0.0228
Echinococcus granulosus	tar DNA binding protein	0.0134	0.3813	0.375
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3813	0.375
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0311	0.1414
Brugia malayi	serine/threonine-protein kinase plk-2	0.0102	0.2745	0.7198
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0311	0.571
Brugia malayi	MAP kinase sur-1	0.0055	0.1218	0.3195
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0022	0.0162	0.0002
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0162	0.0061
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0102	0.2745	0.267
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0236	0.0509
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1218	0.4225
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0055	0.1218	0.1128
Plasmodium falciparum	importin beta, putative	0.003	0.0423	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0162	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.2746	0.2672
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0102	0.2746	0.2672
Trichomonas vaginalis	ran, putative	0.0022	0.0162	0.0228
Leishmania major	hypothetical protein, conserved	0.0027	0.0311	0.0792
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1218	0.4225
Plasmodium vivax	importin-beta 2, putative	0.003	0.0423	1
Schistosoma mansoni	ap endonuclease	0.0022	0.0162	0.0061
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0102	0.2746	0.2672
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0022	0.0162	0.0061
Echinococcus multilocularis	tar DNA binding protein	0.0134	0.3813	0.375
Brugia malayi	RNA, U transporter 1	0.0086	0.2248	0.5895
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.0162	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Schistosoma mansoni	kinase	0.0052	0.1124	0.1033
Schistosoma mansoni	serine/threonine protein kinase	0.0102	0.2745	0.267
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.1081	0.3704
Schistosoma mansoni	ap endonuclease	0.0022	0.0162	0.0061
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Echinococcus multilocularis	geminin	0.0181	0.5345	0.5297
Echinococcus multilocularis	importin subunit beta 1	0.003	0.0423	0.0325
Trichomonas vaginalis	CAMK family protein kinase	0.0051	0.1081	0.3704
Brugia malayi	RNA recognition motif domain containing protein	0.0134	0.3813	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0055	0.1218	0.1128
Trypanosoma brucei	polo-like protein kinase	0.0102	0.2745	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0162	0.0061
Entamoeba histolytica	hypothetical protein	0.0025	0.0236	0.0509
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3813	0.375
Giardia lamblia	Kinase, PLK	0.0102	0.2745	1
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1218	0.4225
Giardia lamblia	Kinase, CMGC MAPK	0.0055	0.1218	0.4225
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0022	0.0162	0.0228
Schistosoma mansoni	tar DNA-binding protein	0.0134	0.3813	0.375
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.2746	0.2672
Leishmania major	GTP-binding protein, putative	0.0022	0.0162	0.0228
Onchocerca volvulus	Huntingtin homolog	0.0131	0.3707	1
Schistosoma mansoni	importin beta-1	0.003	0.0423	0.0325
Toxoplasma gondii	HEAT repeat-containing protein	0.003	0.0423	0.2476
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0055	0.1218	0.1128
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0102	0.2745	0.267
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0162	0.0061
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.1218	0.4225
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0102	0.2746	0.2672
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0102	0.2746	0.7201
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1218	0.4225
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0162	0.0227
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0162	0.0227
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0311	0.571
Loa Loa (eye worm)	TAR-binding protein	0.0134	0.3813	0.375
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0102	0.2745	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0055	0.1218	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0311	0.0212
Brugia malayi	TAR-binding protein	0.0134	0.3813	1
Trichomonas vaginalis	CAMK family protein kinase	0.0102	0.2745	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0102	0.2745	1
Entamoeba histolytica	Ran family GTPase	0.0022	0.0162	0.0228
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0311	0.0792
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0311	0.0792
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0102	0.2746	0.2672
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0022	0.0162	0.0228
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0162	0.0424
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0162	0.0227

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: CHEMBL576030

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 1074838