TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 321.327 | Formula: C19H15NO4
H donors: 2 H acceptors: 4 LogP: 2.85 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1=CN(C=C(C1c1ccccc1)C(=O)O)c1ccccc1
InChi: 1S/C19H15NO4/c21-18(22)15-11-20(14-9-5-2-6-10-14)12-16(19(23)24)17(15)13-7-3-1-4-8-13/h1-12,17H,(H,21,22)(H,23,24)
InChiKey: CZGMGDQWIXRBAW-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
Brugia malayi	Carboxylesterase family protein	0.0107	0.323	1
Echinococcus multilocularis	neuroligin	0.0018	0.0445	0.1028
Echinococcus granulosus	BC026374 protein S09 family	0.0018	0.0445	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0107	0.323	1
Loa Loa (eye worm)	carboxylesterase	0.0018	0.0445	0.085
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.1763	0.5
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.0874	0.2257
Brugia malayi	CXXC zinc finger family protein	0.0032	0.0874	0.2267
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0187	0.0195
Brugia malayi	Carboxylesterase family protein	0.0018	0.0445	0.0861
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0018	0.0445	0.132
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Brugia malayi	Carboxylesterase family protein	0.0018	0.0445	0.0861
Schistosoma mansoni	cpg binding protein	0.0033	0.093	0.2832
Loa Loa (eye worm)	carboxylesterase	0.0107	0.323	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.323	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0018	0.0445	0.132
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0126	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0157	0.4823	1
Echinococcus multilocularis	acetylcholinesterase	0.0107	0.323	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Schistosoma mansoni	cpg binding protein	0.0032	0.0874	0.2655
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0018	0.0445	0.132
Onchocerca volvulus		0.0032	0.0874	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0107	0.323	1
Loa Loa (eye worm)	carboxylesterase	0.0018	0.0445	0.085
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0104	0.0104
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0107	0.323	1
Echinococcus granulosus	cpg binding protein	0.0033	0.093	0.259
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0187	0.0195
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0157	0.4823	0.5
Brugia malayi	Carboxylesterase family protein	0.0107	0.323	1
Brugia malayi	Carboxylesterase family protein	0.0018	0.0445	0.0861
Brugia malayi	Carboxylesterase family protein	0.0018	0.0445	0.0861
Echinococcus granulosus	acetylcholinesterase	0.0107	0.323	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0018	0.0445	0.132
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0018	0.0445	0.132
Echinococcus granulosus	acetylcholinesterase	0.0107	0.323	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.1989	0.613
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Trichomonas vaginalis	spcc417.12 protein, putative	0.0018	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Schistosoma mansoni	cpg binding protein	0.0033	0.093	0.2832
Trichomonas vaginalis	helicase, putative	0.0007	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0104	0.0104
Schistosoma mansoni	acetylcholinesterase	0.0018	0.0445	0.132
Echinococcus multilocularis	para nitrobenzyl esterase	0.0018	0.0445	0.1028
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0018	0.0445	0.1028
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0157	0.4823	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Echinococcus granulosus	para nitrobenzyl esterase	0.0018	0.0445	0.1028
Echinococcus multilocularis	cpg binding protein	0.0033	0.093	0.259
Brugia malayi	hypothetical protein	0.0018	0.0445	0.0861
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0104	0.0104
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0018	0.0445	0.0445
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0104	0.0104
Echinococcus granulosus	neuroligin	0.0018	0.0445	0.1028
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0018	0.0445	0.1028
Echinococcus granulosus	carboxylesterase 5A	0.0107	0.323	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0018	0.0445	0.1028
Echinococcus multilocularis	acetylcholinesterase	0.0107	0.323	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0445	0.085
Echinococcus multilocularis	carboxylesterase 5A	0.0107	0.323	1
Schistosoma mansoni	gliotactin	0.0018	0.0445	0.132
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0104	0.0104
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0104	0.0104
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0104	0.0104

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 86.6 %	Inhibition of human SIRT1 expressed in Escherichia coli at 50 uM after 1 hr by fluorescent biochemical assay	ChEMBL.	19663498

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: CHEMBL575457

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1075129