TDR Targets

Basic information

Technical information

TDR Targets ID: 339176
Name: (4-methoxynaphthalen-1-yl)-[1-[(1-methylpiper idin-2-yl)methyl]indol-3-yl]methanone
MW: 412.523 | Formula: C27H28N2O2
H donors: 0 H acceptors: 1 LogP: 5.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c2c1cccc2)C(=O)c1cn(c2c1cccc2)CC1CCCCN1C
InChi: 1S/C27H28N2O2/c1-28-16-8-7-9-19(28)17-29-18-24(21-11-5-6-13-25(21)29)27(30)23-14-15-26(31-2)22-12-4-3-10-20(22)23/h3-6,10-15,18-19H,7-9,16-17H2,1-2H3
InChiKey: ZMGWYGSWRVIQOM-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

(4-methoxy-1-naphthyl)-[1-[(1-methyl-2-piperidyl)methyl]indol-3-yl]methanone
(4-methoxy-1-naphthyl)-[1-[(1-methyl-2-piperidinyl)methyl]-3-indolyl]methanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Cannabinoid CB1 receptor	Starlite/ChEMBL	References

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 multilocularis	glycine receptor subunit alpha 1	0.0123	0.0016	0.0016
Echinococcus multilocularis	neuroligin	0.0368	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Echinococcus multilocularis	glutamate receptor 2	0.0323	0.0989	0.0989
Brugia malayi	Glutamate receptor 1 precursor	0.0323	0.0989	0.0975
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0368	0.1207	0.1207
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Brugia malayi	Serotonin receptor	0.0456	0.1638	0.1624
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0123	0.0016	0.0016
Echinococcus granulosus	nmda type glutamate receptor	0.0537	0.203	0.203
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0123	0.0016	0.0016
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0368	0.1207	0.1207
Echinococcus multilocularis	glycine receptor subunit beta	0.0123	0.0016	0.0016
Loa Loa (eye worm)	carboxylesterase	0.0368	0.1207	0.1192
Echinococcus multilocularis	para nitrobenzyl esterase	0.0368	0.1207	0.1207
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0123	0.0016	0.0016
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0878	0.3689	0.3689
Brugia malayi	Carboxylesterase family protein	0.0368	0.1207	0.1192
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0336	0.1052	0.8703
Echinococcus multilocularis	acetylcholinesterase	0.2177	1	1
Loa Loa (eye worm)	hypothetical protein	0.2177	1	1
Echinococcus granulosus	BC026374 protein S09 family	0.0368	0.1207	0.1207
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0384	0.1287	0.1287
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0123	0.0016	0.0016
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0562	0.2151	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0384	0.1287	0.1287
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0368	0.1207	0.1207
Echinococcus granulosus	carboxylesterase 5A	0.2177	1	1
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0384	0.1287	0.1287
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0123	0.0016	0.0016
Schistosoma mansoni	gliotactin	0.0368	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0368	0.1207	0.1207
Onchocerca volvulus		0.0368	0.1207	1
Schistosoma mansoni	acetylcholinesterase	0.0368	0.1207	0.1207
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0605	0.2358	1
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0123	0.0016	0.0016
Schistosoma mansoni	glutamate receptor AMPA	0.0323	0.0989	0.0989
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Brugia malayi	Glutamate receptor 2 precursor	0.0323	0.0989	0.0975
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0384	0.1287	0.1287
Schistosoma mansoni	glutamate receptor NMDA	0.086	0.3601	0.3601
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Echinococcus multilocularis	glutamate receptor NMDA	0.0476	0.1732	0.1732
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Brugia malayi	Carboxylesterase family protein	0.0368	0.1207	0.1192
Echinococcus granulosus	glutamate receptor 2	0.0384	0.1287	0.1287
Loa Loa (eye worm)	acetylcholinesterase 1	0.2177	1	1
Brugia malayi	Telomerase reverse transcriptase	0.0244	0.0606	0.0591
Onchocerca volvulus		0.0368	0.1207	1
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Echinococcus granulosus	glutamate receptor NMDA	0.0476	0.1732	0.1732
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0123	0.0016	0.0016
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0368	0.1207	0.1207
Loa Loa (eye worm)	carboxylesterase	0.2177	1	1
Echinococcus multilocularis	glutamate receptor 2	0.0265	0.0706	0.0706
Trichomonas vaginalis	spcc417.12 protein, putative	0.0368	0.1207	0.5
Echinococcus granulosus	nAChR subunit	0.0123	0.0016	0.0016
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0123	0.0016	0.0016
Echinococcus granulosus	para nitrobenzyl esterase	0.0368	0.1207	0.1207
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0123	0.0016	0.0016
Onchocerca volvulus		0.0368	0.1207	1
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0123	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.2177	1	1
Echinococcus granulosus	glycine receptor subunit beta	0.0123	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Loa Loa (eye worm)	glutamate receptor 2	0.0323	0.0989	0.0975
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0878	0.3689	0.3689
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0123	0.0016	0.0016
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Onchocerca volvulus		0.0368	0.1207	1
Schistosoma mansoni	ATP-binding cassette transporter	0.0323	0.0989	0.0989
Brugia malayi	hypothetical protein	0.0368	0.1207	0.1192
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0384	0.1287	0.1287
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0123	0.0016	0.0016
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0384	0.1287	0.1287
Echinococcus multilocularis	conserved hypothetical protein	0.067	0.2676	0.2676
Onchocerca volvulus		0.0368	0.1207	1
Schistosoma mansoni	glutamate receptor kainate	0.0323	0.0989	0.0989
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0123	0.0016	0.0016
Schistosoma mansoni	glutamate receptor AMPA	0.0323	0.0989	0.0989
Schistosoma mansoni	glutamate receptor kainate	0.0323	0.0989	0.0989
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0123	0.0016	0.0016
Brugia malayi	Carboxylesterase family protein	0.0368	0.1207	0.1192
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0123	0.0016	0.0016
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0123	0.0016	0.0016
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0384	0.1287	0.1287
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0123	0.0016	0.0016
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0368	0.1207	0.1207
Echinococcus granulosus	neuroligin	0.0368	0.1207	0.1207
Echinococcus granulosus	acetylcholinesterase	0.2177	1	1
Echinococcus granulosus	hypothetical protein	0.068	0.2723	0.2723
Schistosoma mansoni	BC026374 protein (S09 family)	0.0368	0.1207	0.1207
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0368	0.1207	0.5
Echinococcus multilocularis	acetylcholinesterase	0.2177	1	1
Echinococcus granulosus	glycine receptor subunit beta	0.0123	0.0016	0.0016
Echinococcus multilocularis	nmda type glutamate receptor	0.0537	0.203	0.203
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0384	0.1287	0.1287
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0123	0.0016	0.0016
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0123	0.0016	0.0016
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0368	0.1207	0.1207
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2177	1	1
Schistosoma mansoni	glutamate receptor kainate	0.0323	0.0989	0.0989
Echinococcus granulosus	nmda type glutamate receptor	0.0595	0.2314	0.2314
Echinococcus multilocularis	nmda type glutamate receptor	0.0595	0.2314	0.2314
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0123	0.0016	0.0016
Echinococcus multilocularis	nAChR subunit	0.0123	0.0016	0.0016
Echinococcus multilocularis	glycine receptor subunit beta	0.0123	0.0016	0.0016
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0123	0.0016	0.0016
Brugia malayi	Carboxylesterase family protein	0.2177	1	1
Schistosoma mansoni	nAChR subunit	0.0123	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1207	0.1192
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0123	0.0016	0.0016
Echinococcus multilocularis	carboxylesterase 5A	0.2177	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0123	0.0016	0.0016
Echinococcus granulosus	glutamate receptor 2	0.0265	0.0706	0.0706
Echinococcus multilocularis	glutamate receptor 2	0.0384	0.1287	0.1287
Echinococcus granulosus	acetylcholinesterase	0.2177	1	1
Schistosoma mansoni	glutamate receptor NMDA	0.0878	0.3689	0.3689
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0123	0.0016	0.0016
Loa Loa (eye worm)	glutamate receptor 1	0.0323	0.0989	0.0975
Brugia malayi	Carboxylesterase family protein	0.0368	0.1207	0.1192
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0123	0.0016	0.0016
Loa Loa (eye worm)	carboxylesterase	0.0368	0.1207	0.1192
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0123	0.0016	0.0016
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0605	0.2358	1

Activities

Activity type	Activity value	Assay description	Source	Reference
cLog D7.4	= 3.6	Lipophilicity of the compound was determined by using ACD/LogD Suite software	ChEMBL.	16134948
Ki (binding)	= 2.3 nM	In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940	ChEMBL.	16134948
Ki (binding)	= 2.3 nM	In vitro binding affinity aganist rat cannabinoid receptor 1 using 0.5 nM [3H]-CP- 55940	ChEMBL.	16134948

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: CHEMBL195838
PubChem: 11690129

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 339176