TDR Targets

Basic information

Technical information

TDR Targets ID: 1568224
Name: 2-[1-(4,5-dimethylfuran-2-carbonyl)piperidin- 4-yl]-N-(furan-2-ylmethyl)-N,6-dimethylpyridi ne-3-carboxamide
MW: 435.515 | Formula: C25H29N3O4
H donors: 0 H acceptors: 3 LogP: 3.2 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(c(n1)C1CCN(CC1)C(=O)c1oc(c(c1)C)C)C(=O)N(Cc1ccco1)C
InChi: 1S/C25H29N3O4/c1-16-14-22(32-18(16)3)25(30)28-11-9-19(10-12-28)23-21(8-7-17(2)26-23)24(29)27(4)15-20-6-5-13-31-20/h5-8,13-14,19H,9-12,15H2,1-4H3
InChiKey: WYLQHOIASLNHPN-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

2-[1-(4,5-dimethylfuran-2-carbonyl)-4-piperidyl]-N-(2-furylmethyl)-N,6-dimethyl-pyridine-3-carboxamide
2-[1-[(4,5-dimethyl-2-furyl)-oxomethyl]-4-piperidinyl]-N-(2-furylmethyl)-N,6-dimethyl-3-pyridinecarboxamide
2-[1-(4,5-dimethylfuran-2-carbonyl)-4-piperidyl]-N-(2-furylmethyl)-N,6-dimethyl-nicotinamide
2-[1-(4,5-dimethylfuran-2-yl)carbonylpiperidin-4-yl]-N-(furan-2-ylmethyl)-N,6-dimethyl-pyridine-3-carboxamide

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 granulosus	acetylcholinesterase	0.0587	0.7044	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0	0.5
Echinococcus granulosus	carboxylesterase 5A	0.0587	0.7044	1
Trypanosoma brucei	protein kinase, putative	0.0051	0.0193	0.4982
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0099	0.0804	0.3212
Brugia malayi	Carboxylesterase family protein	0.0099	0.0804	0.1142
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0193	0.063
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0193	0.0193
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0062	0.0326	0.0463
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0099	0.0804	0.3212
Echinococcus granulosus	geminin	0.0169	0.1704	0.242
Onchocerca volvulus		0.0099	0.0804	1
Echinococcus granulosus	dnaJ subfamily C 6	0.0062	0.0326	0.0463
Brugia malayi	glutaminase DH11.1	0.0276	0.3063	0.4348
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0387	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0193	0.4982
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0387	0.055
Brugia malayi	DnaJ domain containing protein	0.0062	0.0326	0.0463
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0173	0.0246
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0126	0.0126
Brugia malayi	hypothetical protein	0.0099	0.0804	0.1142
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0587	0.7044	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0099	0.0804	0.1142
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0126	0.0178
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Brugia malayi	Carboxylesterase family protein	0.0099	0.0804	0.1142
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0193	0.5
Onchocerca volvulus		0.0099	0.0804	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0099	0.0804	0.1142
Echinococcus granulosus	neuroligin	0.0099	0.0804	0.1142
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0126	0.0126
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0099	0.0804	0.1142
Loa Loa (eye worm)	acetylcholinesterase 1	0.0587	0.7044	1
Schistosoma mansoni	hypothetical protein	0.0169	0.1704	0.242
Schistosoma mansoni	glutaminase	0.0276	0.3063	0.4348
Echinococcus multilocularis	acetylcholinesterase	0.0587	0.7044	0.7044
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0099	0.0804	0.0804
Onchocerca volvulus		0.0099	0.0804	1
Mycobacterium ulcerans	glutaminase	0.0276	0.3063	1
Echinococcus multilocularis	neuroligin	0.0099	0.0804	0.0804
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0099	0.0804	0.2625
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0193	0.4982
Echinococcus multilocularis	acetylcholinesterase	0.0587	0.7044	0.7044
Onchocerca volvulus		0.0099	0.0804	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0193	0.0274
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0387	0.055
Brugia malayi	Carboxylesterase family protein	0.0099	0.0804	0.1142
Mycobacterium leprae	Probable lipase LipE	0.0036	0	0.5
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0028	0.004
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0193	0.063
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0099	0.0804	0.1142
Echinococcus multilocularis	geminin	0.0169	0.1704	0.1704
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.2504	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0193	0.4982
Schistosoma mansoni	hypothetical protein	0.0169	0.1704	0.242
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0387	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0126	0.0178
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0173	0.0246
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0173	0.0246
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0193	0.0274
Echinococcus granulosus	BC026374 protein S09 family	0.0099	0.0804	0.1142
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Brugia malayi	Carboxylesterase family protein	0.0587	0.7044	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0387	0.0387
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0193	0.4982
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0193	0.063
Loa Loa (eye worm)	glutaminase	0.0276	0.3063	0.4348
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0099	0.0804	0.1142
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0193	0.4982
Loa Loa (eye worm)	hypothetical protein	0.005	0.0173	0.0246
Schistosoma mansoni	acetylcholinesterase	0.0099	0.0804	0.1142
Schistosoma mansoni	hypothetical protein	0.0062	0.0326	0.0463
Trichomonas vaginalis	glutaminase, putative	0.0276	0.3063	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0099	0.0804	0.0804
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0126	0.0178
Trichomonas vaginalis	spcc417.12 protein, putative	0.0099	0.0804	0.2625
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0193	0.0274
Echinococcus multilocularis	carboxylesterase 5A	0.0587	0.7044	0.7044
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0062	0.0326	0.1064
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0099	0.0804	0.0804
Mycobacterium ulcerans	carboxylesterase, LipT	0.0099	0.0804	0.2625
Loa Loa (eye worm)	hypothetical protein	0.0587	0.7044	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0099	0.0804	0.1142
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0193	0.4982
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0193	0.4982
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0387	0.055
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0387	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Echinococcus multilocularis	dnaJ subfamily C 6	0.0062	0.0326	0.0326
Loa Loa (eye worm)	hypothetical protein	0.0587	0.7044	1
Echinococcus granulosus	acetylcholinesterase	0.0587	0.7044	1
Schistosoma mansoni	gliotactin	0.0099	0.0804	0.1142
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0099	0.0804	0.1142
Brugia malayi	Carboxylesterase family protein	0.0587	0.7044	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0193	0.0274
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0193	0.0193
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0028	0.0028
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0126	0.0178
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0193	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0193	0.063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0126	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0804	0.1142
Brugia malayi	Carboxylesterase family protein	0.0099	0.0804	0.1142
Loa Loa (eye worm)	glutaminase 2	0.0276	0.3063	0.4348
Onchocerca volvulus		0.0099	0.0804	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0099	0.0804	0.3212
Brugia malayi	MAP kinase sur-1	0.0051	0.0193	0.0274
Loa Loa (eye worm)	carboxylesterase	0.0099	0.0804	0.1142
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0387	0.055
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0126	0.0178
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0126	0.0178
Loa Loa (eye worm)	carboxylesterase	0.0587	0.7044	1
Loa Loa (eye worm)	carboxylesterase	0.0099	0.0804	0.1142

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 200 uM	Antifungal activity against Saccharomyces cerevisiae ATCC 24657 assessed as growth inhibition after 24 to 48 hrs by agar plate bioassay	ChEMBL.	22100140

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: CHEMBL1927903

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1568224