TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 252.271 | Formula: C14H12N4O
H donors: 1 H acceptors: 3 LogP: 2.96 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)Oc1cccc(c1)Cc1n[nH]nn1
InChi: 1S/C14H12N4O/c1-2-6-12(7-3-1)19-13-8-4-5-11(9-13)10-14-15-17-18-16-14/h1-9H,10H2,(H,15,16,17,18)
InChiKey: GTQVCDRRFMOMQO-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
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.142	0.142
Schistosoma mansoni	hypothetical protein	0.0198	0.6336	0.6336
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0104	0.2585	0.2585
Echinococcus granulosus	tar DNA binding protein	0.0074	0.142	0.2241
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.2585	0.4079
Loa Loa (eye worm)	hypothetical protein	0.0161	0.4835	0.4021
Brugia malayi	Melibiase family protein	0.0073	0.1362	0.1362
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.2585	0.2585
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.1362	0.1362
Echinococcus granulosus	muscleblind protein	0.0161	0.4835	0.763
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.2585	0.4079
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0104	0.2585	0.4079
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.1362	0.1362
Loa Loa (eye worm)	glutaminase	0.0291	1	1
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.4835	0.763
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.2799	0.2799
Brugia malayi	RNA binding protein	0.0074	0.142	0.142
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.142	0.142
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.142	0.0067
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.142	0.142
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.2585	0.2585
Echinococcus multilocularis	geminin	0.0198	0.6336	1
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Echinococcus multilocularis	muscleblind protein	0.0161	0.4835	0.763
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0104	0.2585	0.2585
Loa Loa (eye worm)	RNA binding protein	0.0074	0.142	0.0067
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.142	0.142
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0104	0.2585	0.4079
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.142	0.2241
Toxoplasma gondii	melibiase subfamily protein	0.0109	0.2799	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.2799	0.2799
Brugia malayi	Muscleblind-like protein	0.0161	0.4835	0.4835
Entamoeba histolytica	hypothetical protein	0.0038	0	0.5
Loa Loa (eye worm)	glutaminase 2	0.0291	1	1
Schistosoma mansoni	glutaminase	0.0291	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.142	0.142
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.142	0.0067
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0104	0.2585	0.1416
Loa Loa (eye worm)	hypothetical protein	0.0161	0.4835	0.4021
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.142	0.142
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.2799	0.2799
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0109	0.2799	0.4418
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0109	0.2799	0.4418
Trichomonas vaginalis	glutaminase, putative	0.0291	1	1
Brugia malayi	TAR-binding protein	0.0074	0.142	0.142
Echinococcus granulosus	geminin	0.0198	0.6336	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.2799	0.2799
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0109	0.2799	0.4418
Mycobacterium ulcerans	glutaminase	0.0291	1	0.5
Schistosoma mansoni	hypothetical protein	0.0198	0.6336	0.6336

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: CHEMBL1829241

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 1104054