TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 452.461 | Formula: C26H20N4O4
H donors: 2 H acceptors: 4 LogP: 3.12 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)n1c(=O)/c(=C/c2c[nH]c3c2cccc3)/n(c(=O)/c/1=C/c1c[nH]c2c1cccc2)C(=O)C
InChi: 1S/C26H20N4O4/c1-15(31)29-23(11-17-13-27-21-9-5-3-7-19(17)21)26(34)30(16(2)32)24(25(29)33)12-18-14-28-22-10-6-4-8-20(18)22/h3-14,27-28H,1-2H3/b23-11-,24-12-
InChiKey: MRNZKBHMSCYPDP-CBSQCECLSA-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
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.6041	0.5
Onchocerca volvulus		0.0032	0.3076	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0668	0.0634
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0455	0.0421
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.6041	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0379	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0379	1
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0004	0.0036	0.0036
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.6041	0.6041
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0004	0.0036	0.0036
Brugia malayi	CXXC zinc finger family protein	0.0032	0.3076	0.3052
Echinococcus multilocularis	cpg binding protein	0.0034	0.3275	0.3251
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0379	1
Schistosoma mansoni	cpg binding protein	0.0034	0.3275	0.3275
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0654	0.062
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.3076	0.3052
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	1	1
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0004	0.0036	0.0634
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0004	0.0036	0.0036
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0089	0.0089
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	1	1
Schistosoma mansoni	cpg binding protein	0.0034	0.3275	0.3275
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0004	0.0036	0.0036
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0004	0.0036	0.0036
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.6987	0.6987
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.6041	0.6027
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0379	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0379	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0379	1
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0004	0.0036	0.0036
Trichomonas vaginalis	helicase, putative	0.0007	0.0379	1
Schistosoma mansoni	cpg binding protein	0.0032	0.3076	0.3076
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.6041	0.5
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0004	0.0036	0.0036
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0668	0.0634
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0379	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.6041	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0668	0.0634
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0004	0.0036	0.0036
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0455	0.0421
Plasmodium falciparum	zinc finger protein, putative	0.0004	0	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0379	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0455	0.0421
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0004	0.0036	0.0634
Echinococcus granulosus	cpg binding protein	0.0034	0.3275	0.3251
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0004	0.0036	0.0036
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0004	0.0036	0.0634
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.6041	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	1	1
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.0004	0.0036	0.0036
Entamoeba histolytica	G protein alpha subunit, putative	0.0004	0.0036	1
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0004	0.0036	0.0634
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0004	0.0036	0.0634
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0004	0.0036	0.0634
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0004	0.0036	0.0634
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.6041	0.6041
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.6196	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0379	1
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.0004	0.0036	0.0036
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0004	0.0036	0.0036
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0004	0.0036	0.0036
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0455	0.0421
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.6041	0.6027
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0004	0.0036	0.0634
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0455	0.0455

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: CHEMBL518746

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1018946