TDR Targets

Basic information

Technical information

TDR Targets ID: 665730
Name: ZINC01144365
MW: 375.417 | Formula: C23H21NO4
H donors: 1 H acceptors: 2 LogP: 3.85 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NC(=O)CCC(=O)c1ccc(cc1)Oc1ccccc1
InChi: 1S/C23H21NO4/c1-27-22-10-6-5-9-20(22)24-23(26)16-15-21(25)17-11-13-19(14-12-17)28-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3,(H,24,26)
InChiKey: MLSGSYNJMVPQFK-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

STK047338

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
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0231	0.7899
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0302	0.8559	1
Entamoeba histolytica	CAAX amino terminal protease family	0.0038	0.0283	0.0113
Treponema pallidum	hypothetical protein	0.0038	0.0283	0.5
Schistosoma mansoni	alpha-glucosidase	0.0141	0.3502	0.348
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0244	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0611	0.0676
Brugia malayi	hypothetical protein	0.0237	0.6527	0.7616
Plasmodium falciparum	protease, putative	0.0038	0.0283	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0244	0.0029
Schistosoma mansoni	gabp alpha	0.0077	0.1498	0.1468
Mycobacterium tuberculosis	Probable integral membrane protein	0.0038	0.0283	0.0063
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.6552	1
Giardia lamblia	Hypothetical protein	0.0184	0.4855	0.5
Loa Loa (eye worm)	fli-1 protein	0.0233	0.6391	0.7457
Brugia malayi	Ets-domain containing protein	0.0077	0.1498	0.1717
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0231	0.0231
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0038	0.0283	0.0063
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0749	0.0838
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0244	0.021
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0038	0.0283	0.0063
Echinococcus granulosus	lysosomal alpha glucosidase	0.0163	0.4215	0.4215
Onchocerca volvulus		0.0037	0.0244	0.0322
Echinococcus granulosus	CAAX prenyl protease 2	0.0184	0.4855	0.4855
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.5647	0.6584
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0184	0.4855	0.7315
Loa Loa (eye worm)	transcription factor SMAD2	0.0126	0.3057	0.3545
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0611	0.0578
Schistosoma mansoni	hypothetical protein	0.0348	1	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0244	0.0246
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0163	0.4215	0.4905
Brugia malayi	CAAX amino terminal protease family protein	0.0184	0.4855	0.5655
Schistosoma mansoni	hypothetical protein	0.0036	0.0226	0.0192
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0244	0.0246
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0231	0.0231
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0231	0.0231
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0244	0.0246
Mycobacterium ulcerans	integral membrane protein	0.0038	0.0283	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0749	0.0838
Plasmodium vivax	protease, putative	0.0038	0.0283	1
Brugia malayi	MH2 domain containing protein	0.0126	0.3057	0.3545
Entamoeba histolytica	CAAX prenyl protease family	0.0184	0.4855	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.6527	0.6515
Leishmania major	hypothetical protein, conserved	0.0037	0.0244	0.0029
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0244	0.0021
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0226	0.0224
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0038	0.0283	1
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0184	0.4855	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0184	0.4855	0.5655
Schistosoma mansoni	hypothetical protein	0.0048	0.0611	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0246
Trichomonas vaginalis	esterase, putative	0.0037	0.0244	0.0021
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.6527	0.6527
Brugia malayi	beta-lactamase family protein	0.0037	0.0244	0.0246
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0244	0.0029
Toxoplasma gondii	hypothetical protein	0.0038	0.0283	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0226	0.0224
Echinococcus multilocularis	geminin	0.0348	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0749	0.0838
Echinococcus multilocularis	muscleblind protein	0.0302	0.8559	0.8554
Chlamydia trachomatis	hypothetical protein	0.0038	0.0283	0.5
Echinococcus multilocularis	muscleblind protein 1	0.0302	0.8559	0.8554
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0244	0.0021
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0234	0.6438	1
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0184	0.4855	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0237	0.6527	0.7616
Brugia malayi	Muscleblind-like protein	0.0302	0.8559	1
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0244	0.0246
Brugia malayi	Ets-domain containing protein	0.0077	0.1498	0.1717
Schistosoma mansoni	alpha glucosidase	0.0036	0.0231	0.0197
Entamoeba histolytica	CAAX amino terminal protease family	0.0038	0.0283	0.0113
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0163	0.4215	0.4905
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0246
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0244	0.8429
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.4215	0.4195
Echinococcus granulosus	muscleblind protein	0.0302	0.8559	0.8559
Onchocerca volvulus		0.0095	0.2056	0.3102
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0244	0.0244
Echinococcus multilocularis	CAAX prenyl protease 2	0.0184	0.4855	0.4837
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0244	0.021
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0163	0.4215	0.4195
Schistosoma mansoni	hypothetical protein	0.0348	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0244	0.0021
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0283	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0126	0.3057	0.3545
Onchocerca volvulus		0.0048	0.0611	0.0884
Toxoplasma gondii	hypothetical protein	0.0038	0.0283	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0244	0.0029
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0184	0.4855	1
Echinococcus multilocularis	GA binding protein alpha chain	0.0077	0.1498	0.1468
Onchocerca volvulus		0.0037	0.0244	0.0322
Brugia malayi	Pre-SET motif family protein	0.0209	0.5647	0.6584
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0283	1
Brugia malayi	beta-lactamase	0.0037	0.0244	0.0246
Schistosoma mansoni	alpha-glucosidase	0.0141	0.3502	0.348
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0244	0.021
Schistosoma mansoni	ets-related	0.0233	0.6391	0.6378
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0244	0.0021
Toxoplasma gondii	ABC1 family protein	0.0037	0.0244	0.8429
Onchocerca volvulus		0.0238	0.6552	1
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0184	0.4855	0.4837
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0244	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.1149	0.1308
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0246
Echinococcus granulosus	GA binding protein alpha chain	0.0077	0.1498	0.1498
Brugia malayi	Fli-1 protein	0.0233	0.6391	0.7457
Loa Loa (eye worm)	hypothetical protein	0.0302	0.8559	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0244	0.0246
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0184	0.4855	0.4837
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0077	0.1498	0.1717
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0749	0.0838
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0038	0.0283	0.0063
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0231	0.0197
Onchocerca volvulus		0.0037	0.0244	0.0322
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0184	0.4855	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0244	0.0021

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 665730