TDR Targets

Basic information

Technical information

TDR Targets ID: 500604
Name: N-[2-(3-methylpiperidin-1-yl)phenyl]-5-nitrof uran-2-carboxamide
MW: 329.35 | Formula: C17H19N3O4
H donors: 1 H acceptors: 3 LogP: 3.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCCN(C1)c1ccccc1NC(=O)c1ccc(o1)[N+](=O)[O-]
InChi: 1S/C17H19N3O4/c1-12-5-4-10-19(11-12)14-7-3-2-6-13(14)18-17(21)15-8-9-16(24-15)20(22)23/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,18,21)
InChiKey: GAKBUDJFUFUSED-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-[2-(3-methyl-1-piperidyl)phenyl]-5-nitro-furan-2-carboxamide
N-[2-(3-methyl-1-piperidinyl)phenyl]-5-nitro-2-furancarboxamide
N-[2-(3-methylpiperidin-1-yl)phenyl]-5-nitro-furan-2-carboxamide
N-[2-(3-methylpiperidino)phenyl]-5-nitro-2-furamide
N-[2-(3-methyl-1-piperidyl)phenyl]-5-nitro-2-furamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	colony stimulating factor 1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	Get druggable targets OG5_132967	All targets in OG5_132967

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	MBOAT family protein	0.0043	0.0514	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0296	0.0336
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.1038	1
Leishmania major	glycerol uptake protein, putative	0.0043	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.208	0.2358
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0043	0.0514	0.0582
Loa Loa (eye worm)	carboxylesterase	0.0069	0.1038	0.1176
Echinococcus granulosus	acetylcholinesterase	0.0407	0.804	0.804
Echinococcus multilocularis	acetylcholinesterase	0.0407	0.804	0.9113
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0043	0.0514	0.0514
Loa Loa (eye worm)	MBOAT family protein	0.0043	0.0514	0.0582
Echinococcus multilocularis	para nitrobenzyl esterase	0.0069	0.1038	0.1176
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0043	0.0514	0.0514
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0514	0.4481
Brugia malayi	Carboxylesterase family protein	0.0069	0.1038	0.1262
Echinococcus granulosus	sterol O acyltransferase 1	0.0444	0.8822	0.8822
Treponema pallidum	alginate O-acetylation protein (algI)	0.0043	0.0514	1
Brugia malayi	MBOAT family protein	0.0043	0.0514	0.0608
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0043	0.0514	1
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0043	0.0514	0.0582
Echinococcus multilocularis	sterol O acyltransferase 1	0.0444	0.8822	1
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0043	0.0514	1
Echinococcus multilocularis	muscleblind protein	0.0119	0.208	0.2358
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0043	0.0514	0.0582
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0296	0.0337
Toxoplasma gondii	hypothetical protein	0.0043	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0514	0.0582
Brugia malayi	MBOAT family protein	0.0043	0.0514	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0444	0.8822	1
Onchocerca volvulus		0.0069	0.1038	1
Loa Loa (eye worm)	aryl-acylamidase	0.0023	0.0088	0.01
Loa Loa (eye worm)	hhat protein	0.0043	0.0514	0.0582
Echinococcus multilocularis	muscleblind protein 1	0.0119	0.208	0.2358
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0023	0.0088	0.01
Loa Loa (eye worm)	acetylcholinesterase 1	0.0407	0.804	0.9113
Leishmania major	glycerol uptake protein, putative	0.0043	0.0514	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0069	0.1038	1
Loa Loa (eye worm)	carboxylesterase	0.0069	0.1038	0.1176
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0023	0.0088	0.01
Onchocerca volvulus		0.0069	0.1038	1
Brugia malayi	Carboxylesterase family protein	0.0407	0.804	1
Loa Loa (eye worm)	hypothetical protein	0.0407	0.804	0.9113
Loa Loa (eye worm)	MBOAT family protein	0.0043	0.0514	0.0582
Leishmania major	glycerol uptake protein, putative	0.0043	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0514	0.0582
Brugia malayi	Hhat protein	0.0043	0.0514	0.0608
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1038	0.1176
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0043	0.0514	0.0514
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0069	0.1038	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0612	0.0731
Leishmania major	glycerol uptake protein, putative	0.0043	0.0514	1
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0043	0.0514	0.0582
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0043	0.0514	0.0582
Trypanosoma cruzi	glycerol uptake protein, putative	0.0043	0.0514	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0514	0.4481
Mycobacterium leprae	Possible lipase LipU	0.0023	0.0088	0.5
Loa Loa (eye worm)	hypothetical protein	0.0401	0.7923	0.8981
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0069	0.1038	1
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0514	0.4481
Brugia malayi	MBOAT family protein	0.0043	0.0514	0.0608
Schistosoma mansoni	BC026374 protein (S09 family)	0.0069	0.1038	0.1176
Brugia malayi	aryl-acylamidase	0.0023	0.0088	0.0077
Trichomonas vaginalis	porcupine, putative	0.0043	0.0514	0.4481
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0043	0.0514	0.0582
Mycobacterium ulcerans	carboxylesterase, LipT	0.0069	0.1038	1
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Brugia malayi	Carboxylesterase family protein	0.0069	0.1038	0.1262
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0043	0.0514	0.0582
Echinococcus multilocularis	carboxylesterase 5A	0.0407	0.804	0.9113
Trypanosoma cruzi	glycerol uptake protein, putative	0.0043	0.0514	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0043	0.0514	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1038	0.1176
Echinococcus multilocularis	acetylcholinesterase	0.0407	0.804	0.9113
Trypanosoma cruzi	GUP1, putative	0.0043	0.0514	1
Echinococcus granulosus	neuroligin	0.0069	0.1038	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0043	0.0514	0.5
Brugia malayi	MBOAT family protein	0.0043	0.0514	0.0608
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.1038	0.1176
Leishmania major	hypothetical protein, conserved	0.0043	0.0514	1
Trypanosoma brucei	glycerol uptake protein, putative	0.0043	0.0514	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0514	0.5
Leishmania major	glycerol uptake protein, putative	0.0043	0.0514	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0043	0.0514	0.0582
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0043	0.0514	0.0582
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0407	0.804	0.9113
Schistosoma mansoni	hypothetical protein	0.0033	0.0296	0.0336
Schistosoma mansoni	acetylcholinesterase	0.0069	0.1038	0.1176
Brugia malayi	diacylglycerol acyltransferase	0.0043	0.0514	0.0608
Brugia malayi	Carboxylesterase family protein	0.0069	0.1038	0.1262
Schistosoma mansoni	gliotactin	0.0069	0.1038	0.1176
Entamoeba histolytica	vacuolar protein sorting 26	0.0043	0.0514	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0514	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0043	0.0514	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0407	0.804	0.9113
Onchocerca volvulus		0.0069	0.1038	1
Onchocerca volvulus		0.0043	0.0514	0.4481
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0069	0.1038	0.1176
Loa Loa (eye worm)	ammd protein	0.0023	0.0088	0.01
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Echinococcus granulosus	carboxylesterase 5A	0.0407	0.804	0.804
Trypanosoma cruzi	glycerol uptake protein, putative	0.0043	0.0514	1
Schistosoma mansoni	zinc finger protein	0.0043	0.0514	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0119	0.208	0.2358
Loa Loa (eye worm)	MBOAT family protein	0.0043	0.0514	0.0582
Echinococcus multilocularis	neuroligin	0.0069	0.1038	0.1176
Entamoeba histolytica	hypothetical protein, conserved	0.0043	0.0514	0.5
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0043	0.0514	0.0582
Brugia malayi	hypothetical protein	0.0069	0.1038	0.1262
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0069	0.1038	0.1176
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0612	0.0731
Echinococcus granulosus	acetylcholinesterase	0.0407	0.804	0.804
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.01
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0069	0.1038	0.1038
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0043	0.0514	0.0582
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0043	0.0514	0.0514
Onchocerca volvulus		0.0069	0.1038	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0612	0.0694
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0023	0.0088	0.01
Schistosoma mansoni	hypothetical protein	0.0043	0.0514	0.0582
Echinococcus granulosus	BC026374 protein S09 family	0.0069	0.1038	0.1038
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0043	0.0514	0.5
Echinococcus granulosus	muscleblind protein	0.0119	0.208	0.208
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0043	0.0514	0.0582
Trypanosoma brucei	glycerol uptake protein, putative	0.0043	0.0514	1
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0043	0.0514	0.0582
Schistosoma mansoni	sterol O-acyltransferase 1	0.0444	0.8822	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.002	0.0026	0.003
Echinococcus multilocularis	hormone sensitive lipase	0.0023	0.0088	0.01
Brugia malayi	Carboxylesterase family protein	0.0407	0.804	1
Loa Loa (eye worm)	carboxylesterase	0.0407	0.804	0.9113
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.0023	0.0088	0.01
Brugia malayi	Carboxylesterase family protein	0.0069	0.1038	0.1262
Trypanosoma cruzi	GUP1, putative	0.0043	0.0514	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0043	0.0514	0.0514
Brugia malayi	Muscleblind-like protein	0.0119	0.208	0.2563
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0043	0.0514	0.0582
Onchocerca volvulus		0.0069	0.1038	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0043	0.0514	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0069	0.1038	0.1038
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0043	0.0514	0.4481
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0043	0.0514	0.0582
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0043	0.0514	0.0514
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0069	0.1038	0.1176
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1038	0.1176
Echinococcus granulosus	hormone sensitive lipase	0.0023	0.0088	0.0088
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0043	0.0514	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0612	0.0694
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0043	0.0514	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0069	0.1038	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0043	0.0514	0.0514
Loa Loa (eye worm)	hhat protein	0.0043	0.0514	0.0582

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.38 uM	Inhibition of ATP-induced autophosphorylation of cFMS tyrosine kinase	ChEMBL.	17904845
IC50 (binding)	= 0.38 uM	Inhibition of ATP-induced autophosphorylation of cFMS tyrosine kinase	ChEMBL.	17904845
IC50 (binding)	= 2.2 uM	Inhibition of ATP-induced autophosphorylation of cFMS tyrosine kinase in HEK 293 cells	ChEMBL.	17904845
IC50 (binding)	= 2.2 uM	Inhibition of ATP-induced autophosphorylation of cFMS tyrosine kinase in HEK 293 cells	ChEMBL.	17904845

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: CHEMBL439233
PubChem: 11232741

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 500604