TDR Targets

Basic information

Technical information

TDR Targets ID: 1550305
Name: ethyl 1-[2-[2-(4-chlorobenzoyl)benzoyl]oxyace tyl]piperidine-4-carboxylate
MW: 457.903 | Formula: C24H24ClNO6
H donors: 0 H acceptors: 4 LogP: 3.99 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1CCN(CC1)C(=O)COC(=O)c1ccccc1C(=O)c1ccc(cc1)Cl
InChi: 1S/C24H24ClNO6/c1-2-31-23(29)17-11-13-26(14-12-17)21(27)15-32-24(30)20-6-4-3-5-19(20)22(28)16-7-9-18(25)10-8-16/h3-10,17H,2,11-15H2,1H3
InChiKey: CSYVMPXZINHQLV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[2-[[2-[(4-chlorophenyl)-oxomethyl]phenyl]-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
1-[2-[2-(4-chlorobenzoyl)benzoyl]oxyacetyl]isonipecotic acid ethyl ester
ethyl 1-[2-[2-(4-chlorophenyl)carbonylphenyl]carbonyloxyethanoyl]piperidine-4-carboxylate

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	Cation transporter family protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0019	0	0.5
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0098	0.9508	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0019	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0019	0	0.5
Loa Loa (eye worm)	LGC-31 protein	0.0019	0	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0019	0	0.5
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0019	0	0.5
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0019	0	0.5
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0098	0.9508	0.5
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0019	0	0.5
Onchocerca volvulus		0.0019	0	0.5
Mycobacterium ulcerans	oxidoreductase	0.0098	0.9508	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0019	0	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0019	0	0.5
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0019	0	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0	0.5
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0019	0	0.5
Plasmodium falciparum	conserved protein, unknown function	0.0102	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0019	0	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0019	0	0.5
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0019	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0019	0	0.5
Loa Loa (eye worm)	ACC-1 protein	0.0019	0	0.5
Brugia malayi	Cation transporter family protein	0.0019	0	0.5
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0019	0	0.5
Echinococcus granulosus	glycine receptor subunit beta	0.0019	0	0.5
Echinococcus multilocularis	glycine receptor subunit beta	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0	0.5
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Brugia malayi	excitatory GABA receptor EXP-1A	0.0019	0	0.5
Echinococcus multilocularis	glycine receptor subunit beta	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0019	0	0.5
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0019	0	0.5
Toxoplasma gondii	MRP family domain-containing protein	0.0102	1	0.5
Onchocerca volvulus		0.0019	0	0.5
Echinococcus granulosus	glycine receptor subunit beta	0.0019	0	0.5
Echinococcus granulosus	nAChR subunit	0.0019	0	0.5
Brugia malayi	Cation transporter family protein	0.0019	0	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0	0.5
Onchocerca volvulus		0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0	0.5
Mycobacterium ulcerans	taurine catabolism dioxygenase, TauD	0.0098	0.9508	0.5
Trypanosoma cruzi	Protein of unknown function (DUF971), putative	0.0102	1	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0019	0	0.5
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0019	0	0.5
Trypanosoma brucei	Protein of unknown function (DUF971), putative	0.0102	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0019	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0019	0	0.5
Echinococcus multilocularis	nAChR subunit	0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0019	0	0.5
Onchocerca volvulus		0.0019	0	0.5
Schistosoma mansoni	nAChR subunit	0.0019	0	0.5
Onchocerca volvulus		0.0019	0	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0019	0	0.5
Onchocerca volvulus		0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0019	0	0.5
Onchocerca volvulus	Putative nachr subunit	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0019	0	0.5
Mycobacterium tuberculosis	Probable dioxygenase	0.0098	0.9508	0.5
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0019	0	0.5
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0019	0	0.5
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0019	0	0.5
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	ACC-1 protein	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0019	0	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0019	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0102	1	0.5
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0019	0	0.5
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0019	0	0.5
Trypanosoma cruzi	Protein of unknown function (DUF971), putative	0.0102	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1902493

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 1550305