TDR Targets

Basic information

Technical information

TDR Targets ID: 449108
Name: 1-(2-morpholin-4-ylethyl)-3-(naphthalene-1-ca rbonyl)quinolin-4-one
MW: 412.48 | Formula: C26H24N2O3
H donors: 0 H acceptors: 2 LogP: 4.16 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cccc2c1cccc2)c1cn(CCN2CCOCC2)c2c(c1=O)cccc2
InChi: 1S/C26H24N2O3/c29-25(21-10-5-7-19-6-1-2-8-20(19)21)23-18-28(13-12-27-14-16-31-17-15-27)24-11-4-3-9-22(24)26(23)30/h1-11,18H,12-17H2
InChiKey: HGCVBAWZPCEVSI-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

1-(2-morpholinoethyl)-3-(naphthalene-1-carbonyl)quinolin-4-one
1-(2-morpholinoethyl)-3-[1-naphthalenyl(oxo)methyl]-4-quinolinone
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylcarbonyl-quinolin-4-one
1-(2-morpholinoethyl)-3-(1-naphthoyl)-4-quinolone
1-(2-morpholinoethyl)-3-(1-naphthyl-oxomethyl)-4-quinolinone
1-(2-morpholinoethyl)-3-(naphthalene-1-carbonyl)-4-quinolone

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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1378	0.5022
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0265	0.2662	1
Brugia malayi	Cathepsin L-like precursor	0.0265	0.2662	0.2662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0265	0.2662	0.9704
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0147	0.0778	0.0778
Trypanosoma cruzi	cruzipain precursor, putative	0.0265	0.2662	0.2662
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0128	0.0478	0.0478
Echinococcus multilocularis	cathepsin L cysteine protease	0.0265	0.2662	0.2662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Brugia malayi	Trypsin family protein	0.0131	0.0536	0.0536
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0184	0.1378	0.5022
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0097	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0184	0.1378	0.1378
Trypanosoma cruzi	cysteine proteinase, putative	0.0147	0.0778	0.0778
Trypanosoma cruzi	cysteine peptidase, putative	0.0265	0.2662	0.2662
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0265	0.2662	0.2662
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0265	0.2662	1
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.027	0.2743	1
Brugia malayi	Cathepsin L-like precursor	0.0184	0.1378	0.1378
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.0778	0.2838
Loa Loa (eye worm)	cysteine protease	0.0265	0.2662	0.2662
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	0.0168	0.1114	0.1114
Echinococcus multilocularis	cathepsin L	0.0147	0.0778	0.0778
Brugia malayi	Papain family cysteine protease containing protein	0.0147	0.0778	0.0778
Plasmodium vivax	vivapain-2	0.0265	0.2662	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Onchocerca volvulus	Cathepsin F homolog	0.0265	0.2662	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0131	0.0536	0.0536
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0131	0.0536	0.0536
Leishmania major	cysteine peptidase A (CPA)	0.0265	0.2662	0.9704
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Trypanosoma cruzi	cysteine peptidase, putative	0.0265	0.2662	0.2662
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0265	0.2662	0.2662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Brugia malayi	cathepsin L-like precursor	0.0184	0.1378	0.1378
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0265	0.2662	0.2662
Echinococcus granulosus	cathepsin b	0.0727	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0147	0.0778	0.0778
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Brugia malayi	Cathepsin L-like precursor	0.0265	0.2662	0.2662
Echinococcus granulosus	cathepsin L	0.0147	0.0778	0.0778
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0184	0.1378	0.1378
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Onchocerca volvulus		0.0265	0.2662	1
Plasmodium vivax	vivapain-2	0.0265	0.2662	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0265	0.2662	0.9704
Onchocerca volvulus		0.0265	0.2662	1
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Entamoeba histolytica	cysteine proteinase 2	0.0147	0.0778	0.2924
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1378	0.1378
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Giardia lamblia	Cathepsin B precursor	0.027	0.2743	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0147	0.0778	0.2924
Brugia malayi	prolyl oligopeptidase family protein	0.0168	0.1114	0.1114
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0727	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0778	0.2924
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0265	0.2662	0.2662
Plasmodium vivax	vivapain-3	0.0147	0.0778	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Echinococcus multilocularis	cathepsin b	0.0727	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Plasmodium vivax	unspecified product	0.0147	0.0778	0.2924
Brugia malayi	Papain family cysteine protease containing protein	0.0265	0.2662	0.2662
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.027	0.2743	0.2743
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Brugia malayi	Cathepsin L-like precursor	0.0265	0.2662	0.2662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Entamoeba histolytica	cysteine proteinase, putative	0.0265	0.2662	1
Echinococcus granulosus	cathepsin l1	0.0184	0.1378	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0265	0.2662	0.2662
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0478	0.0478
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Brugia malayi	Papain family cysteine protease containing protein	0.0147	0.0778	0.0778
Schistosoma mansoni	cathepsin F (C01 family)	0.0265	0.2662	0.2662
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Onchocerca volvulus		0.0265	0.2662	1
Trypanosoma cruzi	cysteine protease, putative	0.0147	0.0778	0.0778
Onchocerca volvulus		0.0265	0.2662	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0147	0.0778	0.0778
Echinococcus multilocularis	cysteine protease	0.0265	0.2662	0.2662
Entamoeba histolytica	cysteine proteinase, putative	0.0184	0.1378	0.5175
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Echinococcus multilocularis	cysteine protease	0.0265	0.2662	0.2662
Onchocerca volvulus		0.0265	0.2662	1
Giardia lamblia	Cathepsin B precursor	0.027	0.2743	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0778	0.2924
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0727	1	1
Loa Loa (eye worm)	hypothetical protein	0.0727	1	1
Brugia malayi	Cathepsin L-like precursor	0.0265	0.2662	0.2662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0128	0.0478	0.0478
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0536	0.0536
Trypanosoma brucei	cysteine peptidase C (CPC)	0.027	0.2743	1
Giardia lamblia	Cathepsin B precursor	0.027	0.2743	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.0778	0.2838
Brugia malayi	Cathepsin L-like precursor	0.0265	0.2662	0.2662
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Entamoeba histolytica	cysteine proteinase, putative	0.0265	0.2662	1
Brugia malayi	Cathepsin L-like precursor	0.0265	0.2662	0.2662
Entamoeba histolytica	cysteine protease, putative	0.0265	0.2662	1
Loa Loa (eye worm)	fibroinase	0.0265	0.2662	0.2662
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0147	0.0778	0.2838
Echinococcus granulosus	cathepsin l1	0.0265	0.2662	0.2662
Echinococcus multilocularis	cathepsin L cysteine protease	0.0265	0.2662	0.2662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0265	0.2662	1
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0778	0.2924
Echinococcus granulosus	cathepsin b	0.0727	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Onchocerca volvulus		0.0265	0.2662	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Onchocerca volvulus	Cathepsin L homolog	0.0265	0.2662	1
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1378	0.1378
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Loa Loa (eye worm)	ctsf protein	0.0265	0.2662	0.2662
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.027	0.2743	0.2743
Echinococcus granulosus	cathepsin L cysteine protease	0.0147	0.0778	0.0778
Entamoeba histolytica	cysteine proteinase, putative	0.0147	0.0778	0.2924
Onchocerca volvulus	Cathepsin L homolog	0.0265	0.2662	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Echinococcus granulosus	cysteine protease	0.0147	0.0778	0.0778
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	0.0168	0.1114	0.1114
Loa Loa (eye worm)	prolyl oligopeptidase	0.0168	0.1114	0.1114
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0147	0.0778	0.0778
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0727	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0727	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Onchocerca volvulus		0.0265	0.2662	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0147	0.0778	0.2838
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	0.0168	0.1114	0.4186
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0265	0.2662	0.2662
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	0.0168	0.1114	0.1114
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Trypanosoma cruzi	cysteine peptidase, putative	0.0265	0.2662	0.2662
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0184	0.1378	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0536	0.0536
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Toxoplasma gondii	cathepsin CPL	0.0265	0.2662	0.9704
Plasmodium vivax	vivapain-1	0.0147	0.0778	0.2924
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0727	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Echinococcus multilocularis	cathepsin b	0.0727	1	1
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1378	0.1378
Trypanosoma cruzi	cysteine peptidase, putative	0.0147	0.0778	0.0778
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0265	0.2662	0.9704
Treponema pallidum	ATP-dependent RNA helicase	0.0097	0	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0265	0.2662	0.2662
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Leishmania major	cathepsin L-like protease	0.0265	0.2662	0.9704
Onchocerca volvulus		0.0184	0.1378	0.5175
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Onchocerca volvulus		0.0131	0.0536	0.2012
Trypanosoma cruzi	cysteine proteinase, putative	0.0147	0.0778	0.0778
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Toxoplasma gondii	cathepsin B	0.027	0.2743	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0265	0.2662	0.2662
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0265	0.2662	0.9704
Loa Loa (eye worm)	cathepsin B	0.027	0.2743	0.2743
Schistosoma mansoni	cathepsin F (C01 family)	0.0184	0.1378	0.1378
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0265	0.2662	0.9704
Trypanosoma cruzi	cysteine peptidase, putative	0.0265	0.2662	0.2662
Entamoeba histolytica	cysteine protease, putative	0.0147	0.0778	0.2924
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.027	0.2743	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0147	0.0778	0.2924

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	< 10 %	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells	ChEMBL.	17915849
Activity (binding)	< 10 %	Displacement of [3H]-CP-55940 from human CB1 receptor expressed in CHO cells	ChEMBL.	17915849
Activity (binding)	= 46.1 %	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells	ChEMBL.	17915849
Activity (binding)	= 46.1 %	Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells	ChEMBL.	17915849
Ki (binding)	0	Inhibition of human CB2 receptor expressed in CHO cells	ChEMBL.	17915849

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: CHEMBL236963
PubChem: 23634665

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 449108