TDR Targets

Basic information

Technical information

TDR Targets ID: 1393211
Name: N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methylfur an-2-yl)methyl]piperidine-3-carboxamide
MW: 404.501 | Formula: C25H28N2O3
H donors: 1 H acceptors: 1 LogP: 4.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1ccccc1NC(=O)C1CCCN(C1)Cc1ccc(o1)C
InChi: 1S/C25H28N2O3/c1-18-9-12-22(30-18)17-27-15-5-6-20(16-27)25(28)26-24-8-4-3-7-23(24)19-10-13-21(29-2)14-11-19/h3-4,7-14,20H,5-6,15-17H2,1-2H3,(H,26,28)
InChiKey: PCENDZGHMHYABD-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-(4-methoxyphenyl)phenyl]-1-[(5-methyl-2-furyl)methyl]piperidine-3-carboxamide
N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-2-furyl)methyl]-3-piperidinecarboxamide
N-[2-(4-methoxyphenyl)phenyl]-1-[(5-methyl-2-furyl)methyl]nipecotamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0939	0.0549
Echinococcus multilocularis	cpg binding protein	0.0037	0.4678	0.7284
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.8073	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.2139	0.1681
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.6186	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Brugia malayi	CXXC zinc finger family protein	0.0035	0.4393	0.4856
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0634	0.0531
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.6186	0.7362
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Trichomonas vaginalis	helicase, putative	0.0008	0.0525	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.5326	0.615
Schistosoma mansoni	cpg binding protein	0.0035	0.4393	0.4331
Schistosoma mansoni	hypothetical protein	0.0019	0.2139	0.2052
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.2139	0.1704
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	hypothetical protein	0.0019	0.2139	0.2052
Schistosoma mansoni	hypothetical protein	0.0019	0.2139	0.2052
Loa Loa (eye worm)	hypothetical protein	0.006	0.8073	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.6186	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0939	0.0549
Echinococcus multilocularis	GPCR, family 2	0.0019	0.2139	0.271
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Onchocerca volvulus		0.0035	0.4393	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.2139	0.271
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.6186	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.2139	0.1681
Schistosoma mansoni	cpg binding protein	0.0037	0.4678	0.4619
Schistosoma mansoni	cpg binding protein	0.0037	0.4678	0.4619
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.8073	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.6186	0.6144
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.6186	0.6144
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.8867	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.2139	0.271
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.2139	0.271
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.4393	0.4842
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.8073	1
Schistosoma mansoni	hypothetical protein	0.0041	0.5326	0.5275
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.6186	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.2139	0.1704
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.6186	0.7355
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0525	1
Echinococcus granulosus	GPCR family 2	0.0019	0.2139	0.271
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.2139	0.271
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0525	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.6186	0.6144
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0525	1
Schistosoma mansoni	hypothetical protein	0.0019	0.2139	0.2052
Echinococcus granulosus	cpg binding protein	0.0037	0.4678	0.7284
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.5326	0.616
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0525	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.9953 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	14.7157 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)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	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: CHEMBL1527730

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 1393211