TDR Targets

Basic information

Technical information

TDR Targets ID: 373647
Name: 4-keto-N-(1-piperonyl-4-piperidyl)chromene-2- carboxamide
MW: 406.431 | Formula: C23H22N2O5
H donors: 1 H acceptors: 2 LogP: 2.93 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(=O)c2c(o1)cccc2)NC1CCN(CC1)Cc1ccc2c(c1)OCO2
InChi: 1S/C23H22N2O5/c26-18-12-22(30-19-4-2-1-3-17(18)19)23(27)24-16-7-9-25(10-8-16)13-15-5-6-20-21(11-15)29-14-28-20/h1-6,11-12,16H,7-10,13-14H2,(H,24,27)
InChiKey: IZLJKNPYMLZCPG-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

N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-oxochromene-2-carboxamide
N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-4-oxo-chromene-2-carboxamide
N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-4-oxo-1-benzopyran-2-carboxamide
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-oxo-chromene-2-carboxamide
N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-4-oxo-2-chromenecarboxamide
N-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-4-keto-chromene-2-carboxamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	melanin-concentrating hormone receptor 1	Starlite/ChEMBL	References
Homo sapiens	potassium voltage-gated channel, subfamily H (eag-related), member 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus granulosus	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128858	All targets in OG5_128858
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	Potassium voltage-gated channel subfamily H member 2, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Loa Loa (eye worm)	voltage and ligand gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma mansoni	voltage-gated potassium channel	Get druggable targets OG5_128858	All targets in OG5_128858
Schistosoma japonicum	ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative	Get druggable targets OG5_128858	All targets in OG5_128858
Echinococcus multilocularis	potassium voltage gated channel subfamily H	Get druggable targets OG5_128858	All targets in OG5_128858

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
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0217	0.0217
Schistosoma mansoni	phosphoglucomutase	0.0442	0.2609	0.2609
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Toxoplasma gondii	ribonuclease HI protein	0.0442	0.2609	0.5
Schistosoma mansoni	hypothetical protein	0.0038	0.015	0.015
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Trypanosoma cruzi	ribonuclease H1, putative	0.0442	0.2609	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0157	0.8141
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.0193	0.0738
Trichomonas vaginalis	ribonuclease H1, putative	0.0442	0.2609	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Brugia malayi	RNase H family protein	0.0442	0.2609	1
Brugia malayi	hypothetical protein	0.0038	0.015	0.0574
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Treponema pallidum	ribonuclease H (rnhA)	0.0442	0.2609	0.5
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0038	0.015	0.0574
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0038	0.015	0.015
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0038	0.015	0.0574
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Brugia malayi	reverse transcriptase	0.0038	0.015	0.0574
Trypanosoma cruzi	ribonuclease H1, putative	0.0442	0.2609	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Trypanosoma brucei	RNA helicase, putative	0.1656	1	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0038	0.015	0.0574
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Echinococcus granulosus	RNA directed DNA polymerase	0.0038	0.015	0.0574
Echinococcus multilocularis	ribonuclease H1	0.0442	0.2609	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.0193	0.0738
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.0193	1
Trypanosoma brucei	ribonuclease H1	0.0442	0.2609	0.2497
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.0193	0.0738
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Leishmania major	ribonuclease H1, putative	0.0442	0.2609	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Schistosoma mansoni	protein kinase	0.0038	0.015	0.015
Schistosoma mansoni	voltage-gated potassium channel	0.0049	0.0217	0.0217
Echinococcus granulosus	KRAB A domain containing protein	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Echinococcus multilocularis	RNA directed DNA polymerase	0.0038	0.015	0.0574
Brugia malayi	hypothetical protein	0.0038	0.015	0.0574
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0038	0.015	0.0574
Schistosoma mansoni	hypothetical protein	0.0038	0.015	0.015
Trypanosoma brucei	hypothetical protein, conserved	0.0479	0.2837	0.2728
Brugia malayi	hypothetical protein	0.0038	0.015	0.0574
Mycobacterium tuberculosis	Possible maturase	0.0038	0.015	0.5
Brugia malayi	Zinc knuckle family protein	0.0038	0.015	0.0574
Onchocerca volvulus	Ribonuclease H1 homolog	0.0442	0.2609	1
Trypanosoma brucei	ingi protein (ORF1)	0.0479	0.2837	0.2728
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Trypanosoma brucei	unspecified product	0.0479	0.2837	0.2728
Echinococcus granulosus	ribonuclease H1	0.0442	0.2609	1
Giardia lamblia	Ribonuclease H	0.0442	0.2609	1
Brugia malayi	reverse transcriptase	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Brugia malayi	reverse transcriptase	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Brugia malayi	hypothetical protein	0.0038	0.015	0.0574
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Brugia malayi	RNase H family protein	0.0442	0.2609	1
Brugia malayi	Zinc knuckle family protein	0.0038	0.015	0.0574
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0175	0.0101
Brugia malayi	Pao retrotransposon peptidase family protein	0.0038	0.015	0.0574
Schistosoma mansoni	serine/threonine protein kinase	0.0038	0.015	0.015
Schistosoma mansoni	phosphoglucomutase	0.0442	0.2609	0.2609
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0442	0.2609	0.5
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0038	0.015	0.0574
Schistosoma mansoni	phosphoglucomutase	0.0442	0.2609	0.2609
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.0175	0.0101
Brugia malayi	RNase H family protein	0.0442	0.2609	1
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0479	0.2837	0.2728
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0038	0.015	0.0574
Trypanosoma brucei	ingi protein (ORF1)	0.0479	0.2837	0.2728

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.7 nM	Displacement of [3H]dofetilide from hERG	ChEMBL.	17064075
IC50 (binding)	= 6.7 nM	Displacement of [3H]dofetilide from hERG	ChEMBL.	17064075
IC50 (binding)	= 66 nM	Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells	ChEMBL.	17064075
IC50 (binding)	= 66 nM	Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells	ChEMBL.	17064075
IC50 (functional)	= 192 nM	Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay	ChEMBL.	17064075
IC50 (functional)	= 192 nM	Antagonist activity at MCHr1 assessed as inhibition of MCH-mediated calcium ion release in intact IMR32 cells by FLIPR assay	ChEMBL.	17064075

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: CHEMBL214767
PubChem: 11975326

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 373647