TDR Targets

Basic information

Technical information

TDR Targets ID: 1517079
Name: 1-[2-(3-fluorophenyl)ethyl]-N-[3-(4-methoxyph enyl)propyl]-6-oxopiperidine-3-carboxamide
MW: 412.497 | Formula: C24H29FN2O3
H donors: 1 H acceptors: 2 LogP: 3.41 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CCCNC(=O)C1CCC(=O)N(C1)CCc1cccc(c1)F
InChi: 1S/C24H29FN2O3/c1-30-22-10-7-18(8-11-22)5-3-14-26-24(29)20-9-12-23(28)27(17-20)15-13-19-4-2-6-21(25)16-19/h2,4,6-8,10-11,16,20H,3,5,9,12-15,17H2,1H3,(H,26,29)
InChiKey: XDECKNPKFHORLA-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

1-[2-(3-fluorophenyl)ethyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxo-piperidine-3-carboxamide
1-[2-(3-fluorophenyl)ethyl]-N-[3-(4-methoxyphenyl)propyl]-6-oxo-3-piperidinecarboxamide
1-[2-(3-fluorophenyl)ethyl]-6-keto-N-[3-(4-methoxyphenyl)propyl]nipecotamide

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	lipoxygenase domain containing protein	0.0038	0.0408	0.0693
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0021	0.0006	0.5
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0006	0.0009
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0045	0.0573	1
Onchocerca volvulus		0.0045	0.0573	0.0568
Onchocerca volvulus		0.0038	0.0408	0.0403
Echinococcus multilocularis	Polycystic kidney disease protein	0.0038	0.0408	0.0693
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0408	0.0693
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0267	0.5888	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0267	0.5888	0.5888
Brugia malayi	hypothetical protein	0.0038	0.0408	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0006	0.0009
Onchocerca volvulus		0.0045	0.0573	0.0568
Entamoeba histolytica	P-glycoprotein 5, putative	0.0021	0.0006	0.5
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0228	0.4967	0.8435
Echinococcus granulosus	acetylcholinesterase	0.0267	0.5888	1
Echinococcus granulosus	RUN	0.0038	0.0408	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0408	0.0408
Schistosoma mansoni	polycystin 1-related	0.0038	0.0408	0.0684
Schistosoma mansoni	acetylcholinesterase	0.0045	0.0573	0.0965
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0045	0.0573	0.0974
Onchocerca volvulus		0.0045	0.0573	0.0568
Brugia malayi	hypothetical protein	0.0045	0.0573	0.0568
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.0006	0.0009
Brugia malayi	Carboxylesterase family protein	0.0267	0.5888	0.5886
Echinococcus multilocularis	para nitrobenzyl esterase	0.0045	0.0573	0.0974
Trypanosoma brucei	RNA helicase, putative	0.0104	0.1975	0.5
Echinococcus granulosus	acetylcholinesterase	0.0267	0.5888	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0045	0.0573	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0045	0.0573	1
Plasmodium falciparum	LCCL domain-containing protein	0.0038	0.0408	1
Schistosoma mansoni	lipoxygenase	0.016	0.332	0.5634
Schistosoma mansoni	loxhd1	0.0038	0.0408	0.0684
Loa Loa (eye worm)	carboxylesterase	0.0045	0.0573	0.0573
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0021	0.0006	0.5
Brugia malayi	Carboxylesterase family protein	0.0045	0.0573	0.0568
Entamoeba histolytica	P-glycoprotein-1	0.0021	0.0006	0.5
Plasmodium vivax	multidomain scavenger receptor, putative	0.0038	0.0408	1
Leishmania major	p-glycoprotein	0.0021	0.0006	0.5
Entamoeba histolytica	P-glyco protein 6, putative	0.0021	0.0006	0.5
Schistosoma mansoni	lipoxygenase	0.0228	0.4967	0.8434
Loa Loa (eye worm)	multidrug resistance protein 3	0.0021	0.0006	0.0006
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0228	0.4967	0.8435
Loa Loa (eye worm)	hypothetical protein	0.0267	0.5888	0.5888
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0573	0.0965
Schistosoma mansoni	gliotactin	0.0045	0.0573	0.0965
Schistosoma mansoni	BC026374 protein (S09 family)	0.0045	0.0573	0.0965
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0006	0.0009
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0573	0.0965
Brugia malayi	Doublecortin family protein	0.0038	0.0408	0.0403
Loa Loa (eye worm)	carboxylesterase	0.0267	0.5888	0.5888
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0006	0.0009
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0045	0.0573	0.0974
Brugia malayi	Carboxylesterase family protein	0.0045	0.0573	0.0568
Trichomonas vaginalis	spcc417.12 protein, putative	0.0045	0.0573	1
Onchocerca volvulus		0.0045	0.0573	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0267	0.5888	0.5888
Echinococcus multilocularis	neuroligin	0.0045	0.0573	0.0974
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0006	0.0009
Brugia malayi	Carboxylesterase family protein	0.0267	0.5888	0.5886
Schistosoma mansoni	hypothetical protein	0.0038	0.0408	0.0684
Entamoeba histolytica	P-glycoprotein-5	0.0021	0.0006	0.5
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0021	0.0006	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.0267	0.5888	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0045	0.0573	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Schistosoma mansoni	hypothetical protein	0.0104	0.1975	0.3347
Brugia malayi	Carboxylesterase family protein	0.0045	0.0573	0.0568
Schistosoma mansoni	rab6-interacting	0.0038	0.0408	0.0684
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0006	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0045	0.0573	0.0965
Mycobacterium ulcerans	carboxylesterase, LipT	0.0045	0.0573	0.5
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0006	0.0009
Echinococcus granulosus	multidrug resistance protein 1	0.0021	0.0006	0.0009
Echinococcus multilocularis	multidrug resistance protein 1	0.0021	0.0006	0.0009
Echinococcus multilocularis	RUN	0.0038	0.0408	0.0693
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0045	0.0573	0.0974
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0021	0.0006	0.5
Loa Loa (eye worm)	carboxylesterase	0.0045	0.0573	0.0573
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0006	0.0009
Echinococcus granulosus	lipoxygenase domain containing protein	0.0038	0.0408	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0408	0.0408
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0038	0.0408	0.0693
Schistosoma mansoni	rab6-interacting	0.0038	0.0408	0.0684
Echinococcus granulosus	BC026374 protein S09 family	0.0045	0.0573	0.0974
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0006	0.0009
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0021	0.0006	0.0009
Echinococcus multilocularis	acetylcholinesterase	0.0267	0.5888	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0045	0.0573	0.0965
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0573	0.0573
Entamoeba histolytica	P-glycoprotein-2	0.0021	0.0006	0.5
Echinococcus granulosus	carboxylesterase 5A	0.0267	0.5888	1
Echinococcus multilocularis	acetylcholinesterase	0.0267	0.5888	1
Brugia malayi	Carboxylesterase family protein	0.0045	0.0573	0.0568
Brugia malayi	hypothetical protein	0.0038	0.0408	0.0403
Echinococcus granulosus	neuroligin	0.0045	0.0573	0.0974
Loa Loa (eye worm)	doublecortin family protein	0.0038	0.0408	0.0408
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0021	0.0006	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0006	0.0006
Entamoeba histolytica	P-glycoprotein-2, putative	0.0021	0.0006	0.5
Echinococcus granulosus	Polycystic kidney disease protein	0.0038	0.0408	0.0693
Echinococcus granulosus	para nitrobenzyl esterase	0.0045	0.0573	0.0974
Onchocerca volvulus		0.0045	0.0573	0.0568
Onchocerca volvulus		0.0038	0.0408	0.0403
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0021	0.0006	0.0006
Entamoeba histolytica	P-glycoprotein-2	0.0021	0.0006	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.7783 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1708041

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 1517079