TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 239.273 | Formula: C14H13N3O
H donors: 1 H acceptors: 2 LogP: 2.3 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(c1)C)n1c(=O)[nH]c2c1nccc2
InChi: 1S/C14H13N3O/c1-9-5-6-12(10(2)8-9)17-13-11(16-14(17)18)4-3-7-15-13/h3-8H,1-2H3,(H,16,18)
InChiKey: YBXJABFVQNKIKL-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
Echinococcus multilocularis	zinc finger protein	0.0022	0.0277	0.0247
Brugia malayi	Bromodomain containing protein	0.0042	0.1492	0.2174
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1975	0.195
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0066	0.288	0.2858
Schistosoma mansoni	hypothetical protein	0.0017	0.0031	0.0031
Echinococcus multilocularis	geminin	0.0187	1	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0643	0.1954
Schistosoma mansoni	bromodomain containing protein	0.007	0.3113	0.3113
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.047	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1497	0.2181
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0643	0.5
Echinococcus granulosus	transcription factor Dp 1	0.0042	0.1486	0.146
Schistosoma mansoni	hypothetical protein	0.0017	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1774	0.2594
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.6752	1
Schistosoma mansoni	hypothetical protein	0.0038	0.1218	0.1218
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0073	0.329	0.329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1975	0.195
Schistosoma mansoni	hypothetical protein	0.0017	0.0031	0.0031
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1218	0.1767
Echinococcus granulosus	histone lysine methyltransferase setb	0.0019	0.0114	0.0083
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0114	0.0114
Loa Loa (eye worm)	bromodomain containing protein	0.002	0.0154	0.0183
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1975	0.195
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1218	0.1767
Schistosoma mansoni	zinc finger protein	0.0022	0.0277	0.0277
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0114	0.0114
Loa Loa (eye worm)	PHD-finger family protein	0.0023	0.0346	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0078	0.3595	0.5303
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1975	0.195
Brugia malayi	PHD-finger family protein	0.0028	0.0624	0.0882
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.047	0.047
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0643	0.5
Echinococcus granulosus	zinc finger protein	0.0022	0.0277	0.0247
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1975	0.1975
Leishmania major	hypothetical protein, conserved	0.0028	0.0643	0.1954
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.004	0.1338	0.1312
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0073	0.329	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1975	0.2892
Brugia malayi	MH2 domain containing protein	0.0132	0.6752	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0073	0.329	0.4849
Loa Loa (eye worm)	hypothetical protein	0.0045	0.165	0.2409
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1975	0.1975
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.2241	0.3289
Schistosoma mansoni	hypothetical protein	0.0023	0.0346	0.0346
Echinococcus multilocularis	transcription factor Dp 1	0.0042	0.1486	0.146
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0643	0.1954
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0019	0.0114	0.0114
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0019	0.0114	0.0083
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0073	0.329	0.3269
Schistosoma mansoni	hypothetical protein	0.0187	1	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0019	0.0114	0.0114
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0019	0.0114	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2241	0.3289
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.004	0.1338	0.1312
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0073	0.329	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0073	0.329	1
Schistosoma mansoni	hypothetical protein	0.0187	1	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.047	0.0441
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0073	0.329	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0643	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.6752	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0019	0.0114	0.0083
Brugia malayi	hypothetical protein	0.0028	0.0643	0.091
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0643	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.2241	0.3289
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.2241	0.3289
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0643	0.1954
Brugia malayi	hypothetical protein	0.0018	0.0063	0.0048
Brugia malayi	Bromodomain containing protein	0.0083	0.3873	0.5716
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0066	0.288	0.2858
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0073	0.329	0.4849
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1975	0.2892
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0073	0.329	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0031	0.0031
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1975	0.1975
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0114	0.0124
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0643	0.091
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0073	0.329	0.3269

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: CHEMBL3245102

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 1893012