TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 279.332 | Formula: C15H21NO4
H donors: 2 H acceptors: 3 LogP: 2.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1c(C)[nH]c(=O)c(c1OC1CCCCC1)C(=O)O
InChi: 1S/C15H21NO4/c1-3-11-9(2)16-14(17)12(15(18)19)13(11)20-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,16,17)(H,18,19)
InChiKey: CWJFBFGUYYDGGD-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
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0022	0.0039	0.007
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0214	0.0802
Brugia malayi	RNA recognition motif domain containing protein	0.0061	0.0471	0.1761
Schistosoma mansoni	zinc finger protein	0.002	0.0006	0.0011
Schistosoma mansoni	hypothetical protein	0.0033	0.0156	0.0277
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0025	0.0067	0.025
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0039	0.007
Trypanosoma cruzi	hypothetical protein, conserved	0.0144	0.1388	1
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.012	0.1126	0.1996
Trichomonas vaginalis	penicillin-binding protein, putative	0.0144	0.1388	0.5
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1388	0.5192
Schistosoma mansoni	endonuclease related	0.0072	0.0592	0.105
Echinococcus granulosus	lamin	0.0047	0.0307	0.0544
Echinococcus multilocularis	Endonuclease G	0.0072	0.0592	0.105
Loa Loa (eye worm)	RNA binding protein	0.0061	0.0471	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1388	0.5192
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Echinococcus granulosus	ectonucleotide	0.0101	0.0916	0.1623
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0006	0.5
Brugia malayi	PHD-finger family protein	0.0025	0.0065	0.0245
Mycobacterium leprae	conserved hypothetical protein	0.0144	0.1388	1
Schistosoma mansoni	hypothetical protein	0.0075	0.0627	0.1111
Brugia malayi	Bromodomain containing protein	0.0075	0.0619	0.2317
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0471	0.0834
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.0101	0.0916	0.1623
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0079	0.1261
Leishmania major	DNA/RNA non-specific endonuclease-like protein	0.0072	0.0592	0.4268
Mycobacterium tuberculosis	Conserved protein	0.0144	0.1388	0.1383
Schistosoma mansoni	hypothetical protein	0.0021	0.0018	0.0032
Brugia malayi	cytoplasmic intermediate filament protein	0.0025	0.0067	0.025
Onchocerca volvulus		0.0047	0.0307	0.1148
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0144	0.1388	0.5192
Schistosoma mansoni	bromodomain containing protein	0.0063	0.049	0.0868
Mycobacterium leprae	Probable lipase LipE	0.0144	0.1388	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0047	0.0307	0.1148
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.045	0.0798
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0079	0.0569
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0471	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0006	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0022	0.003	0.0112
Entamoeba histolytica	hypothetical protein	0.0075	0.0627	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0144	0.1388	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0079	0.0073
Trichomonas vaginalis	D-aminoacylase, putative	0.0144	0.1388	0.5
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0187	0.0332
Brugia malayi	Type I phosphodiesterase / nucleotide pyrophosphatase family protein	0.012	0.1126	0.4211
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0079	0.0569
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0061	0.0471	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0041	0.024	0.09
Leishmania major	hypothetical protein, conserved	0.0144	0.1388	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0326	0.1218
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0297	0.1112
Echinococcus granulosus	zinc finger protein	0.002	0.0006	0.0011
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Trypanosoma brucei	hypothetical protein, conserved	0.0144	0.1388	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0572	0.214
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0916	0.3425
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0156	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0079	0.0296
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0627	0.1111
Brugia malayi	Bromodomain containing protein	0.0038	0.0214	0.0799
Mycobacterium ulcerans	beta-lactamase	0.0144	0.1388	1
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0039	0.007
Brugia malayi	endonuclease G, mitochondrial precursor	0.0072	0.0592	0.2216
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1388	0.5192
Schistosoma mansoni	hypothetical protein	0.026	0.2673	0.474
Trypanosoma brucei	endonuclease G, putative	0.0072	0.0592	0.4268
Onchocerca volvulus		0.0144	0.1388	0.5192
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0006	1
Brugia malayi	beta-lactamase	0.0144	0.1388	0.5192
Onchocerca volvulus		0.012	0.1126	0.4211
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.0101	0.0916	0.1623
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0156	0.0584
Plasmodium vivax	hypothetical protein, conserved	0.0144	0.1388	1
Brugia malayi	RNA binding protein	0.0061	0.0471	0.1761
Echinococcus multilocularis	lamin dm0	0.0047	0.0307	0.0544
Onchocerca volvulus		0.0026	0.0079	0.0296
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0187	0.0332
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0144	0.1388	0.2461
Brugia malayi	TAR-binding protein	0.0061	0.0471	0.1761
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0006	0.0022
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0079	0.0569
Trichomonas vaginalis	esterase, putative	0.0144	0.1388	0.5
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1388	0.5192
Echinococcus multilocularis	musashi	0.0047	0.0307	0.0544
Mycobacterium tuberculosis	Probable hydrolase	0.0144	0.1388	0.1383
Loa Loa (eye worm)	TAR-binding protein	0.0061	0.0471	0.1761
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0079	0.1261
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0079	0.0569
Mycobacterium tuberculosis	Probable esterase LipL	0.0144	0.1388	0.1383
Entamoeba histolytica	hypothetical protein	0.0075	0.0627	1
Echinococcus granulosus	intermediate filament protein	0.0047	0.0307	0.0544
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0039	0.007
Echinococcus multilocularis	tar DNA binding protein	0.0061	0.0471	0.0834
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.012	0.1126	0.1996
Loa Loa (eye worm)	hypothetical protein	0.012	0.1126	0.4211
Onchocerca volvulus		0.0047	0.0307	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0307	0.1148
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0471	0.0834
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0079	0.0569
Loa Loa (eye worm)	beta-lactamase	0.0144	0.1388	0.5192
Echinococcus multilocularis	ectonucleotide	0.0101	0.0916	0.1623
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0471	0.0834
Trypanosoma brucei	endonuclease G, putative	0.0072	0.0592	0.4268
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0006	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0039	0.0147
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Mycobacterium tuberculosis	Conserved protein	0.0144	0.1388	0.1383
Loa Loa (eye worm)	intermediate filament protein	0.0047	0.0307	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0006	0.0022
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.012	0.1126	0.1996
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0079	0.0569
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0326	0.1218
Mycobacterium ulcerans	esterase/lipase LipP	0.0144	0.1388	1
Trypanosoma brucei	endonuclease G, putative	0.0072	0.0592	0.4268
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0326	0.1218
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0079	0.1261
Schistosoma mansoni	lamin	0.0047	0.0307	0.0544
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0022	0.0039	0.007
Brugia malayi	intermediate filament protein	0.0047	0.0307	0.1148
Echinococcus multilocularis	lamin	0.0047	0.0307	0.0544
Brugia malayi	Thrombospondin type 1 domain containing protein	0.026	0.2673	1
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Loa Loa (eye worm)	hypothetical protein	0.012	0.1126	0.4211
Trypanosoma cruzi	hypothetical protein, conserved	0.0144	0.1388	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0326	0.1218
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Trichomonas vaginalis	penicillin-binding protein, putative	0.0144	0.1388	0.5
Onchocerca volvulus		0.0144	0.1388	0.5192
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0079	0.0296
Echinococcus granulosus	beta LACTamase domain containing family member	0.0144	0.1388	0.2461
Mycobacterium tuberculosis	Probable lipase LipE	0.0144	0.1388	0.1383
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0079	0.0296
Loa Loa (eye worm)	hypothetical protein	0.012	0.1126	0.4211
Echinococcus multilocularis	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Onchocerca volvulus		0.0144	0.1388	0.5192
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0262	0.0979
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0144	0.1388	0.1383
Toxoplasma gondii	ABC1 family protein	0.0144	0.1388	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0144	0.1388	0.2461
Mycobacterium tuberculosis	Probable lipase LipD	0.0144	0.1388	0.1383
Echinococcus multilocularis	microtubule associated protein 2	0.0527	0.564	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0079	0.0569
Echinococcus granulosus	lamin dm0	0.0047	0.0307	0.0544
Schistosoma mansoni	ectonucleotide pyrophosphatase/phosphodiesterase	0.012	0.1126	0.1996
Brugia malayi	beta-lactamase family protein	0.0144	0.1388	0.5192
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1388	0.5192
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0079	0.0569
Brugia malayi	hypothetical protein	0.0075	0.0627	0.2344
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0144	0.1388	0.5192
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0079	0.0296
Schistosoma mansoni	intermediate filament proteins	0.0047	0.0307	0.0544
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0144	0.1388	0.2461
Loa Loa (eye worm)	MH2 domain-containing protein	0.025	0.2566	0.9599
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0627	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0006	0.0022
Giardia lamblia	Phosphatidylinositol-glycan biosynthesis, class O protein	0.0019	0	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0079	0.0296
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0079	0.0569
Mycobacterium ulcerans	hypothetical protein	0.0144	0.1388	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0144	0.1388	0.5
Echinococcus multilocularis	zinc finger protein	0.002	0.0006	0.0011
Schistosoma mansoni	lamin	0.0047	0.0307	0.0544
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0079	0.0569
Echinococcus granulosus	tar DNA binding protein	0.0061	0.0471	0.0834
Loa Loa (eye worm)	hypothetical protein	0.0022	0.003	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0006	0.0022
Schistosoma mansoni	tar DNA-binding protein	0.0061	0.0471	0.0834
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0079	0.0569
Echinococcus granulosus	microtubule associated protein 2	0.0527	0.564	1
Loa Loa (eye worm)	transcription factor SMAD2	0.025	0.2566	0.9599
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0079	0.0073
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Loa Loa (eye worm)	thrombospondin type 1 domain-containing protein	0.026	0.2673	1
Brugia malayi	beta-lactamase family protein	0.0144	0.1388	0.5192
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0079	0.0296
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0047	0.0307	0.1148
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.045	0.0798
Leishmania major	endonuclease G, putative	0.0072	0.0592	0.4268
Brugia malayi	MH2 domain containing protein	0.025	0.2566	0.9599
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0018	0.0068
Echinococcus granulosus	ectonucleotide pyrophosphatase:phosphodiesterase	0.012	0.1126	0.1996
Echinococcus granulosus	Endonuclease G	0.0072	0.0592	0.105
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0144	0.1388	0.1383
Onchocerca volvulus		0.026	0.2673	1
Mycobacterium tuberculosis	Conserved protein	0.0144	0.1388	0.1383
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0627	0.1111
Trichomonas vaginalis	D-aminoacylase, putative	0.0144	0.1388	0.5
Entamoeba histolytica	hypothetical protein	0.0075	0.0627	1
Mycobacterium ulcerans	lipase LipD	0.0144	0.1388	1
Schistosoma mansoni	microtubule-associated protein tau	0.0527	0.564	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0144	0.1388	0.1383
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0079	0.0569
Onchocerca volvulus		0.012	0.1126	0.4211
Entamoeba histolytica	hypothetical protein	0.0075	0.0627	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0079	0.0569
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1388	0.5192

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: CHEMBL496610

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 997518