TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.437 | Formula: C25H20N2O4
H donors: 0 H acceptors: 3 LogP: 3.79 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1)Oc1cccc(c1)Cn1ccc(=O)n(c1=O)Cc1ccccc1
InChi: 1S/C25H20N2O4/c28-23-14-15-26(25(30)27(23)18-19-8-3-1-4-9-19)17-20-10-7-13-22(16-20)31-24(29)21-11-5-2-6-12-21/h1-16H,17-18H2
InChiKey: BYQVLYMLZAIRQV-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
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0257	1	1
Mycobacterium leprae	conserved hypothetical protein	0.004	0.1055	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0257	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.1055	0.0443
Loa Loa (eye worm)	hypothetical protein	0.004	0.1055	0.1055
Mycobacterium ulcerans	hypothetical protein	0.004	0.1055	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.004	0.1055	0.0443
Echinococcus granulosus	mitogen activated protein kinase	0.0257	1	1
Trichomonas vaginalis	CMGC family protein kinase	0.0257	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.004	0.1055	0.0996
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.064	0.064
Echinococcus granulosus	lamin	0.003	0.064	0.064
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0257	1	1
Brugia malayi	intermediate filament protein	0.003	0.064	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0618	0.0618
Echinococcus multilocularis	mitogen activated protein kinase	0.0257	1	1
Plasmodium vivax	hypothetical protein, conserved	0.004	0.1055	0.5
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0257	1	1
Onchocerca volvulus		0.004	0.1055	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.004	0.1055	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.1055	0.1055
Loa Loa (eye worm)	hypothetical protein	0.004	0.1055	0.1055
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0257	1	1
Brugia malayi	beta-lactamase family protein	0.004	0.1055	0.0996
Loa Loa (eye worm)	hypothetical protein	0.004	0.1055	0.1055
Mycobacterium leprae	Probable lipase LipE	0.004	0.1055	0.5
Giardia lamblia	Kinase, CMGC MAPK	0.0257	1	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0257	1	1
Brugia malayi	beta-lactamase	0.004	0.1055	0.0996
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.004	0.1055	0.1055
Loa Loa (eye worm)	hypothetical protein	0.003	0.064	0.064
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.064	0.0578
Echinococcus multilocularis	musashi	0.003	0.064	0.064
Trypanosoma brucei	protein kinase, putative	0.0257	1	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.1055	0.1055
Trichomonas vaginalis	CMGC family protein kinase	0.0257	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.004	0.1055	0.1055
Loa Loa (eye worm)	hypothetical protein	0.004	0.1055	0.1055
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0066	0.0066
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0257	1	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0257	1	1
Mycobacterium ulcerans	lipase LipD	0.004	0.1055	0.5
Brugia malayi	beta-lactamase family protein	0.004	0.1055	0.0996
Mycobacterium ulcerans	esterase/lipase LipP	0.004	0.1055	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0257	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0256	0.9957	1
Onchocerca volvulus		0.004	0.1055	1
Echinococcus granulosus	intermediate filament protein	0.003	0.064	0.064
Mycobacterium ulcerans	beta-lactamase	0.004	0.1055	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.004	0.1055	0.1055
Echinococcus granulosus	lamin dm0	0.003	0.064	0.064
Loa Loa (eye worm)	beta-lactamase	0.004	0.1055	0.1055
Echinococcus multilocularis	lamin	0.003	0.064	0.064
Onchocerca volvulus		0.004	0.1055	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0257	1	1
Echinococcus multilocularis	lamin dm0	0.003	0.064	0.064
Trichomonas vaginalis	CMGC family protein kinase	0.0257	1	1
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0257	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0257	1	1
Loa Loa (eye worm)	intermediate filament protein	0.003	0.064	0.064
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0257	1	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

ChEMBL: CHEMBL3220579

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 1849865