TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 294.348 | Formula: C18H18N2O2
H donors: 1 H acceptors: 3 LogP: 3.26 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCCCc1c(O)c2ccncc2n(c1=O)c1ccccc1
InChi: 1S/C18H18N2O2/c1-2-3-9-15-17(21)14-10-11-19-12-16(14)20(18(15)22)13-7-5-4-6-8-13/h4-8,10-12,21H,2-3,9H2,1H3
InChiKey: HELJOQBGQXXQDJ-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	diacylglycerol acyltransferase	0.0099	0.0621	0.7271
Onchocerca volvulus		0.0099	0.0621	1
Leishmania major	hypothetical protein, conserved	0.0099	0.0621	0.5
Treponema pallidum	alginate O-acetylation protein (algI)	0.0099	0.0621	0.5
Leishmania major	glycerol uptake protein, putative	0.0099	0.0621	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0099	0.0621	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0099	0.0621	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0121	0.0854	0.0249
Leishmania major	glycerol uptake protein, putative	0.0099	0.0621	0.5
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0099	0.0621	0.0621
Entamoeba histolytica	hypothetical protein	0.0099	0.0621	0.5
Brugia malayi	MBOAT family protein	0.0099	0.0621	0.7271
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0621	0.0621
Trichomonas vaginalis	conserved hypothetical protein	0.0099	0.0621	0.5
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0099	0.0621	1
Trypanosoma brucei	glycerol uptake protein, putative	0.0099	0.0621	0.5
Loa Loa (eye worm)	hhat protein	0.0099	0.0621	0.0621
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0121	0.0854	0.0249
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0099	0.0621	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0621	0.0621
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0099	0.0621	0.5
Entamoeba histolytica	vacuolar protein sorting 26	0.0099	0.0621	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0099	0.0621	0.5
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0099	0.0621	0.0148
Schistosoma mansoni	cathepsin D (A01 family)	0.0104	0.0676	0.0059
Trypanosoma cruzi	glycerol uptake protein, putative	0.0099	0.0621	0.5
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0121	0.0854	0.0249
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0099	0.0621	0.0148
Loa Loa (eye worm)	MBOAT family protein	0.0099	0.0621	0.0621
Brugia malayi	MBOAT family protein	0.0099	0.0621	0.7271
Trypanosoma cruzi	glycerol uptake protein, putative	0.0099	0.0621	0.5
Brugia malayi	MBOAT family protein	0.0099	0.0621	0.7271
Leishmania major	glycerol uptake protein, putative	0.0099	0.0621	0.5
Trichomonas vaginalis	porcupine, putative	0.0099	0.0621	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0099	0.0621	0.0621
Trichomonas vaginalis	conserved hypothetical protein	0.0099	0.0621	0.5
Loa Loa (eye worm)	hhat protein	0.0099	0.0621	0.0621
Brugia malayi	MBOAT family protein	0.0099	0.0621	0.7271
Trichomonas vaginalis	conserved hypothetical protein	0.0099	0.0621	0.5
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0621	0.0621
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0121	0.0854	1
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0099	0.0621	0.5
Echinococcus multilocularis	sterol O acyltransferase 1	0.1009	1	1
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0099	0.0621	0.0621
Brugia malayi	MBOAT family protein	0.0099	0.0621	0.7271
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0121	0.0854	0.0854
Loa Loa (eye worm)	hypothetical protein	0.1009	1	1
Toxoplasma gondii	1,3-beta-glucan synthase component protein	0.0626	0.6049	1
Leishmania major	glycerol uptake protein, putative	0.0099	0.0621	0.5
Loa Loa (eye worm)	hypothetical protein	0.0911	0.8985	0.8985
Schistosoma mansoni	sterol O-acyltransferase 1	0.1009	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0121	0.0854	0.0249
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0099	0.0621	0.5
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0121	0.0854	0.0249
Loa Loa (eye worm)	MBOAT family protein	0.0099	0.0621	0.0621
Trypanosoma cruzi	GUP1, putative	0.0099	0.0621	0.5
Leishmania major	glycerol uptake protein, putative	0.0099	0.0621	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0099	0.0621	0.5
Brugia malayi	Hhat protein	0.0099	0.0621	0.7271
Toxoplasma gondii	hypothetical protein	0.0099	0.0621	0.0148
Trypanosoma cruzi	GUP1, putative	0.0099	0.0621	0.5
Schistosoma mansoni	cathepsin D (A01 family)	0.0104	0.0676	0.0059

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 0 %	Percent inhibition of SRS-A release in vitro at a dose of 10 microM in guinea pig	ChEMBL.	2903244

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

No external resources registered for this compound

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 107967