TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.396 | Formula: C18H15N3OS
H donors: 0 H acceptors: 2 LogP: 4.03 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)C(=O)N=c1sc2c(n1C)c(C)ccc2C
InChi: 1S/C18H15N3OS/c1-11-4-5-12(2)16-15(11)21(3)18(23-16)20-17(22)14-8-6-13(10-19)7-9-14/h4-9H,1-3H3/b20-18-
InChiKey: JZXASVZWPYWSSG-ZZEZOPTASA-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
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.2429	0.38
Loa Loa (eye worm)	hypothetical protein	0.0098	0.4521	0.7075
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.6391	0.6391
Loa Loa (eye worm)	RNA binding protein	0.0126	0.6391	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0943	0.0943
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0404	0.5
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0404	0.5
Brugia malayi	Probable ClpP-like protease	0.0083	0.3488	0.5458
Echinococcus multilocularis	tar DNA binding protein	0.0126	0.6391	0.6391
Schistosoma mansoni	hypothetical protein	0.018	1	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0404	0.0404
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0404	0.0404
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0126	0.6391	1
Schistosoma mansoni	hypothetical protein	0.0067	0.2429	0.2429
Brugia malayi	MH2 domain containing protein	0.012	0.598	0.9357
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.3488	1
Brugia malayi	TAR-binding protein	0.0126	0.6391	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0083	0.3488	0.3488
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0083	0.3488	0.3488
Brugia malayi	Inositol-1	0.0037	0.0404	0.0633
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0404	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0943	0.0943
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	0.5
Echinococcus granulosus	peptidase Clp S14 family	0.0054	0.1565	0.1565
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0404	0.0404
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0054	0.1565	1
Loa Loa (eye worm)	TAR-binding protein	0.0126	0.6391	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.598	0.9357
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	0.5
Loa Loa (eye worm)	hypothetical protein	0.0083	0.3488	0.5458
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0943	0.0943
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.4521	0.7075
Echinococcus granulosus	tar DNA binding protein	0.0126	0.6391	0.6391
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	1
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.6391	0.6391
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.4521	0.7075
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0404	0.5
Echinococcus multilocularis	geminin	0.018	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.6391	0.6391
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0943	0.1476
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0943	0.0943
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0943	0.1476
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.6391	0.6391
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0943	0.0943
Loa Loa (eye worm)	hypothetical protein	0.0067	0.2429	0.38
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0083	0.3488	1
Schistosoma mansoni	hypothetical protein	0.018	1	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0083	0.3488	1
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0404	0.0404
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.598	0.9357
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0943	0.0943
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.4521	0.7075
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0037	0.0404	0.5
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0083	0.3488	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0126	0.6391	0.6391
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0943	0.0943
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0037	0.0404	0.5
Trichomonas vaginalis	inositol monophosphatase, putative	0.0037	0.0404	0.5
Loa Loa (eye worm)	inositol-1	0.0037	0.0404	0.0633
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0054	0.1565	0.1565
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0083	0.3488	0.5
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0404	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0054	0.1565	0.4253
Schistosoma mansoni	peptidase Clp (S14 family)	0.0083	0.3488	0.3488
Brugia malayi	RNA recognition motif domain containing protein	0.0126	0.6391	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0054	0.1565	1
Brugia malayi	RNA binding protein	0.0126	0.6391	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 627733