TDR Targets

Basic information

Technical information

TDR Targets ID: 1348983
Name: 3-methoxy-N-[4-methyl-2-(4-methylpiperidin-1- yl)quinolin-6-yl]benzamide
MW: 389.49 | Formula: C24H27N3O2
H donors: 1 H acceptors: 2 LogP: 5.1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)C(=O)Nc1ccc2c(c1)c(C)cc(n2)N1CCC(CC1)C
InChi: 1S/C24H27N3O2/c1-16-9-11-27(12-10-16)23-13-17(2)21-15-19(7-8-22(21)26-23)25-24(28)18-5-4-6-20(14-18)29-3/h4-8,13-16H,9-12H2,1-3H3,(H,25,28)
InChiKey: VOLRCKKWIMICCD-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

3-methoxy-N-[4-methyl-2-(4-methyl-1-piperidyl)-6-quinolyl]benzamide
3-methoxy-N-[4-methyl-2-(4-methyl-1-piperidinyl)-6-quinolyl]benzamide
C129-0030
NCGC00104376-01

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	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
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
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0206	0.0696	0.188
Brugia malayi	nuclear receptor RXR	0.0145	0.0407	0.0407
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0206	0.0696	0.188
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0206	0.0696	0.0696
Onchocerca volvulus		0.0206	0.0696	0.0694
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0206	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Schistosoma mansoni	hypothetical protein	0.0194	0.0639	0.1726
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.0044	0.0116
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0206	0.0696	0.0696
Loa Loa (eye worm)	steroid hormone receptor	0.0206	0.0696	0.0696
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0206	0.0696	0.0696
Brugia malayi	conserved hypotetical protein	0.0061	0.0002	0.0002
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0145	0.0407	0.1097
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.0044	0.0116
Brugia malayi	tailless protein	0.0061	0.0002	0.0002
Brugia malayi	steroid hormone receptor	0.0206	0.0696	0.0696
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0145	0.0407	0.0407
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0206	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0407	0.0407
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0206	0.0696	0.188
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0061	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0206	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0206	0.0696	0.188
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0206	0.0696	0.188
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0206	0.0696	0.188
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3694	1
Brugia malayi	Steroid receptor seven-up type 2	0.0206	0.0696	0.0696
Brugia malayi	nuclear hormone receptor family member odr-7	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0407	0.0407
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0206	0.0696	0.0694
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0401	0.0401
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.0044	0.0116
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0206	0.0696	0.188
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3694	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0061	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0206	0.0696	0.0696
Brugia malayi	nuclear receptor NHR-88	0.0206	0.0696	0.0696
Schistosoma mansoni	nuclear hormone receptor	0.0206	0.0696	0.188
Brugia malayi	Nuclear hormone receptor E75	0.0061	0.0002	0.0002
Echinococcus granulosus	FTZ F1 alpha	0.0206	0.0696	0.188
Brugia malayi	Nuclear hormone receptor-like 1	0.0145	0.0407	0.0407
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0206	0.0696	0.0696
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.0044	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0206	0.0696	0.188
Brugia malayi	hypothetical protein	0.0061	0.0002	0.0002
Brugia malayi	nuclear receptor NHR-67	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0206	0.0696	0.188
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Brugia malayi	nuclear receptor RXR	0.0061	0.0002	0.0002
Loa Loa (eye worm)	DR-78	0.0061	0.0002	0.0002
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0061	0.0002	0.0002
Brugia malayi	hypothetical protein	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0061	0.0002	0.0002
Echinococcus granulosus	ecdysone induced protein 78C	0.0206	0.0696	0.188
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0206	0.0696	0.188
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Onchocerca volvulus	Bile acid receptor homolog	0.2153	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0206	0.0696	0.188
Brugia malayi	nuclear hormone receptor	0.0061	0.0002	0.0002
Brugia malayi	photoreceptor-specific nuclear receptor	0.0206	0.0696	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.2153	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0206	0.0696	0.0696
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0206	0.0696	0.188
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0145	0.0407	0.1097
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0206	0.0696	0.0696
Schistosoma mansoni	retinoic acid receptor RXR	0.0206	0.0696	0.188
Schistosoma mansoni	thyroid hormone receptor	0.0206	0.0696	0.188
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0206	0.0696	0.0696
Brugia malayi	hypothetical protein	0.0145	0.0407	0.0407
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0145	0.0407	0.1097
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0206	0.0696	0.188
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0206	0.0696	0.188
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0206	0.0696	0.0696
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.0044	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Echinococcus multilocularis	FTZ F1 alpha	0.0206	0.0696	0.188
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Brugia malayi	nuclear hormone receptor	0.0206	0.0696	0.0696
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0206	0.0696	0.0696
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0206	0.0696	0.0696
Brugia malayi	Nuclear hormone receptor-like 1	0.0206	0.0696	0.0696
Schistosoma mansoni	coup transcription factor	0.0206	0.0696	0.188
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0206	0.0696	0.0696
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0206	0.0696	0.188
Echinococcus granulosus	geminin	0.0194	0.0639	0.1726
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0407	0.0407
Loa Loa (eye worm)	nuclear hormone receptor	0.0061	0.0002	0.0002
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0206	0.0696	0.188
Brugia malayi	nuclear receptor NHR-88	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0206	0.0696	0.188
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0206	0.0696	0.0696
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3694	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0206	0.0696	0.188
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0407	0.0407
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0145	0.0407	0.1097
Schistosoma mansoni	hypothetical protein	0.0194	0.0639	0.1726
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.0044	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0206	0.0696	0.0696
Echinococcus multilocularis	ecdysone induced protein 78C	0.0206	0.0696	0.188
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.0044	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0206	0.0696	0.0696
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0206	0.0696	0.188
Schistosoma mansoni	thyroid hormone receptor	0.0206	0.0696	0.188
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0401	0.0401
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0206	0.0696	0.188
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0206	0.0696	0.0696
Brugia malayi	ecdysone receptor	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0206	0.0696	0.0696
Brugia malayi	hypothetical protein	0.0145	0.0407	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.0044	0.0116
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.0044	0.5
Echinococcus multilocularis	geminin	0.0194	0.0639	0.1726
Brugia malayi	Nuclear hormone receptor-like 1	0.0145	0.0407	0.0407
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.0044	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0206	0.0696	0.188
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0206	0.0696	0.0696
Onchocerca volvulus	Protein ultraspiracle homolog	0.0206	0.0696	0.0694
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0407	0.0407
Brugia malayi	MH2 domain containing protein	0.0144	0.0401	0.0401
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0206	0.0696	0.188

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.9811 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 (binding)	= 7.0795 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1484938

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 1348983