TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.36 | Formula: C19H19NO2
H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(c1ccc(cc1)C(=O)/C=C/C(=O)Nc1ccccc1)C
InChi: 1S/C19H19NO2/c1-14(2)15-8-10-16(11-9-15)18(21)12-13-19(22)20-17-6-4-3-5-7-17/h3-14H,1-2H3,(H,20,22)/b13-12+
InChiKey: DANIZLFFXXINRO-OUKQBFOZSA-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
Echinococcus granulosus	solute carrier family 5	0.0025	0.0194	0.0296
Trypanosoma cruzi	hypothetical protein, conserved	0.0417	0.5058	1
Echinococcus granulosus	intermediate filament protein	0.0018	0.0101	0.0113
Brugia malayi	Intermediate filament tail domain containing protein	0.0018	0.0101	0.0201
Mycobacterium leprae	Probable homoserine o-acetyltransferase MetA	0.0013	0.0045	0.5
Schistosoma mansoni	inositol transporter	0.0025	0.0194	0.056
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0025	0.0194	0.0296
Onchocerca volvulus		0.0018	0.0101	0.0113
Entamoeba histolytica	alpha/beta hydrolase fold protein, putative	0.0013	0.0045	0.5
Echinococcus multilocularis	lamin	0.0018	0.0101	0.0113
Plasmodium vivax	alpha/beta hydrolase, putative	0.0013	0.0045	0.5
Brugia malayi	GH02984p	0.0227	0.27	0.5338
Entamoeba histolytica	hypothetical protein	0.0013	0.0045	0.5
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0417	0.5058	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0045	0.0089
Schistosoma mansoni	high-affinity choline transporter	0.0227	0.27	1
Mycobacterium leprae	Probable exported protease	0.0013	0.0045	0.5
Brugia malayi	Alpha/beta hydrolase	0.0013	0.0045	0.0089
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0013	0.0045	0.0089
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0013	0.0045	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0045	0.0089
Onchocerca volvulus		0.0018	0.0101	0.0113
Plasmodium falciparum	epoxide hydrolase 1	0.0013	0.0045	0.5
Echinococcus multilocularis	musashi	0.0018	0.0101	0.0113
Schistosoma mansoni	lamin	0.0018	0.0101	0.0213
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0025	0.0194	0.0296
Loa Loa (eye worm)	ab-hydrolase associated lipase region family protein	0.0013	0.0045	0.0089
Brugia malayi	alpha/beta hydrolase	0.0013	0.0045	0.0089
Entamoeba histolytica	alpha/beta hydrolase domain protein, putative	0.0013	0.0045	0.5
Loa Loa (eye worm)	abhydrolase domain-containing protein 2	0.0013	0.0045	0.0089
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0018	0.0101	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0097	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0227	0.27	0.5338
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0045	0.5
Plasmodium falciparum	acid cluster protein 33 homologue, putative	0.0013	0.0045	0.5
Mycobacterium tuberculosis	4,9-DHSA hydrolase	0.0802	0.9838	1
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0417	0.5058	1
Mycobacterium leprae	POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE)	0.0013	0.0045	0.5
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0025	0.0194	1
Schistosoma mansoni	inositol transporter	0.0025	0.0194	0.056
Mycobacterium leprae	Probable exported protease	0.0013	0.0045	0.5
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0025	0.0194	0.0296
Echinococcus multilocularis	solute carrier family 5	0.0025	0.0194	0.0296
Schistosoma mansoni	lamin	0.0018	0.0101	0.0213
Loa Loa (eye worm)	lipase	0.0417	0.5058	1
Loa Loa (eye worm)	hydrolase	0.0013	0.0045	0.0089
Echinococcus granulosus	lamin dm0	0.0018	0.0101	0.0113
Trichomonas vaginalis	lipase containing protein, putative	0.0417	0.5058	1
Mycobacterium leprae	POSSIBLE SECRETED PROTEASE	0.0013	0.0045	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0045	0.5
Trichomonas vaginalis	lipase containing protein, putative	0.0417	0.5058	1
Trypanosoma brucei	lipase domain protein, putative	0.0417	0.5058	1
Leishmania major	hypothetical protein, conserved	0.0417	0.5058	1
Echinococcus granulosus	high affinity choline transporter 1	0.0227	0.27	0.5297
Schistosoma mansoni	intermediate filament proteins	0.0018	0.0101	0.0213
Loa Loa (eye worm)	intermediate filament protein	0.0018	0.0101	0.0201
Echinococcus multilocularis	high affinity choline transporter 1	0.0227	0.27	0.5297
Schistosoma mansoni	sodium/solute symporter	0.0025	0.0194	0.056
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0045	0.5
Giardia lamblia	ENC6 protein	0.0013	0.0045	0.5
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0025	0.0194	0.0296
Echinococcus granulosus	sodium:glucose cotransporter	0.0025	0.0194	0.0296
Brugia malayi	UPF0017 protein CG3488	0.0013	0.0045	0.0089
Brugia malayi	intermediate filament protein	0.0018	0.0101	0.0201
Brugia malayi	Sodium:solute symporter family protein	0.0025	0.0194	0.0383
Brugia malayi	Hypothetical 54.7 kDa protein F37A4.1 in chromosome III	0.0013	0.0045	0.0089
Trypanosoma brucei	lipase domain protein, putative	0.0417	0.5058	1
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0025	0.0194	0.0296
Trypanosoma cruzi	hypothetical protein, conserved	0.0417	0.5058	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0101	0.0201
Onchocerca volvulus		0.0025	0.0194	0.0296
Onchocerca volvulus		0.0417	0.5058	1
Echinococcus granulosus	lamin	0.0018	0.0101	0.0113
Echinococcus multilocularis	lamin dm0	0.0018	0.0101	0.0113
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0013	0.0045	0.0089
Plasmodium falciparum	alpha/beta hydrolase, putative	0.0013	0.0045	0.5
Brugia malayi	Lipase family protein	0.0417	0.5058	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0194	0.0383
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0025	0.0194	0.0296

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.48 uM	Antiproliferative activity against human K562 cells assessed as inhibition of cell survival after 72 hrs by MTT assay	ChEMBL.	23353745

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23353745

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: CHEMBL2334532

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1734276