TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 294.391 | Formula: C19H22N2O
H donors: 1 H acceptors: 1 LogP: 3.66 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1C2CCC1CC(C2)NC(=O)c1cccc2c1cccc2
InChi: 1S/C19H22N2O/c1-21-15-9-10-16(21)12-14(11-15)20-19(22)18-8-4-6-13-5-2-3-7-17(13)18/h2-8,14-16H,9-12H2,1H3,(H,20,22)
InChiKey: LKUUQSAIVBVMSP-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

No synonyms found for this compound

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
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0046	0.0536
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0022	0.0022	0.0143
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0948	0.27	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0145	0.1481
Loa Loa (eye worm)	hypothetical protein	0.003	0.0044	0.0517
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0022	0.0023
Loa Loa (eye worm)	glutaminase 2	0.031	0.0854	1
Trichomonas vaginalis	glutaminase, putative	0.031	0.0854	0.5
Echinococcus granulosus	lamin dm0	0.0031	0.0046	0.0303
Schistosoma mansoni	aldehyde dehydrogenase	0.0065	0.0145	0.1481
Brugia malayi	Steroid receptor seven-up type 2	0.0022	0.0022	0.0023
Echinococcus granulosus	intermediate filament protein	0.0031	0.0046	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0022	0.0143
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0005	0.0055
Toxoplasma gondii	RNA-directed DNA polymerase	0.0948	0.27	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0099	0.0377
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0022	0.0022	0.0083
Brugia malayi	nuclear receptor NHR-88	0.0022	0.0022	0.0023
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0022	0.0023
Brugia malayi	hypothetical protein	0.0022	0.0022	0.0024
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0099	0.013
Brugia malayi	photoreceptor-specific nuclear receptor	0.0022	0.0022	0.0023
Brugia malayi	nuclear hormone receptor	0.0022	0.0022	0.0023
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0022	0.0022	0.0023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0099	0.0925
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0065	0.0145	0.0958
Schistosoma mansoni	lipoxygenase	0.0063	0.0138	0.1402
Mycobacterium ulcerans	glutaminase	0.031	0.0854	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0022	0.0022	0.0083
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0115	0.1127
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0022	0.0084
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0948	0.27	0.5
Echinococcus multilocularis	protection of telomeres protein 1	0.0537	0.1512	0.578
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0408	0.4779
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0257
Plasmodium falciparum	telomerase reverse transcriptase	0.0948	0.27	1
Schistosoma mansoni	loxhd1	0.0022	0.0022	0.0003
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0919	0.2616	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0022	0.0022	0.0143
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0022	0.0145
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0022	0.0022	0.0143
Schistosoma mansoni	polycystin 1-related	0.0022	0.0022	0.0003
Echinococcus granulosus	FTZ F1 alpha	0.0022	0.0022	0.0143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0099	0.0652
Trypanosoma brucei	telomerase reverse transcriptase	0.0948	0.27	0.5
Echinococcus multilocularis	survival motor neuron protein 1	0.0268	0.0733	0.2801
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0099	0.0652
Brugia malayi	steroid hormone receptor	0.0022	0.0022	0.0023
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0046	0.0536
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Echinococcus granulosus	geminin	0.0192	0.0513	0.3392
Brugia malayi	hypothetical protein	0.0106	0.0264	0.0358
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0046	0.0057
Brugia malayi	hypothetical protein	0.0268	0.0733	0.1004
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0022	0.0022	0.0023
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0022	0.0022	0.0254
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0022	0.0022	0.0143
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0156	0.0408	0.4643
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0022	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0264	0.3095
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0948	0.27	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Brugia malayi	intermediate filament protein	0.0031	0.0046	0.0057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0099	0.0925
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0099	0.0925
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0022	0.0022	0.0023
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0065	0.0145	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0022	0.0022	0.0023
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0022	0.0022	0.0254
Echinococcus multilocularis	serotonin receptor	0.0156	0.0408	0.1559
Schistosoma mansoni	hypothetical protein	0.0192	0.0513	0.5905
Brugia malayi	Telomerase reverse transcriptase	0.2522	0.7257	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0022	0.0022	0.0254
Schistosoma mansoni	glutaminase	0.031	0.0854	1
Schistosoma mansoni	lamin	0.0031	0.0046	0.0289
Echinococcus multilocularis	lamin dm0	0.0031	0.0046	0.0175
Brugia malayi	ecdysteroid receptor	0.0022	0.0022	0.0023
Echinococcus granulosus	ecdysone induced protein 78C	0.0022	0.0022	0.0143
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0022	0.0083
Schistosoma mansoni	hypothetical protein	0.0192	0.0513	0.5905
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0046	0.0536
Echinococcus granulosus	biogenic amine 5HT receptor	0.0156	0.0408	0.2698
Brugia malayi	glutaminase DH11.1	0.031	0.0854	0.117
Echinococcus granulosus	RUN	0.0022	0.0022	0.0145
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0099	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Schistosoma mansoni	lamin	0.0031	0.0046	0.0289
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0063	0.0138	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0268	0.0733	0.8583
Echinococcus multilocularis	RUN	0.0022	0.0022	0.0084
Loa Loa (eye worm)	glutaminase	0.031	0.0854	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0022	0.0022	0.0023
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0022	0.0022	0.0083
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0022	0.0022	0.0023
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0022	0.0022	0.0023
Schistosoma mansoni	rab6-interacting	0.0022	0.0022	0.0003
Echinococcus multilocularis	musashi	0.0031	0.0046	0.0175
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0065	0.0145	0.0554
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0115	0.0153
Brugia malayi	hypothetical protein	0.0106	0.0264	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0022	0.0022	0.0023
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0022	0.0022	0.0254
Onchocerca volvulus		0.0055	0.0115	0.0094
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0046	0.0289
Echinococcus multilocularis	serotonin receptor	0.0156	0.0408	0.1559
Echinococcus granulosus	survival motor neuron protein 1	0.0268	0.0733	0.4845
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.0349	0.4086
Loa Loa (eye worm)	steroid hormone receptor	0.0022	0.0022	0.0254
Echinococcus multilocularis	FTZ F1 alpha	0.0022	0.0022	0.0083
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0022	0.0022	0.0254
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0022	0.0022	0.0143
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0022	0.0022	0.0143
Schistosoma mansoni	hypothetical protein	0.0106	0.0264	0.2915
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0022	0.0022	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0099	0.1155
Brugia malayi	hypothetical protein	0.0022	0.0022	0.0024
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0022	0.0022	0.0084
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0063	0.0138	0.0529
Echinococcus multilocularis	geminin	0.0192	0.0513	0.1961
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0022	0.0022	0.0083
Loa Loa (eye worm)	doublecortin family protein	0.0022	0.0022	0.0257
Schistosoma mansoni	hypothetical protein	0.0022	0.0022	0.0003
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.0349	0.4086
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0022	0.0022	0.0254
Echinococcus granulosus	lamin	0.0031	0.0046	0.0303
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0022	0.0022	0.0083
Brugia malayi	Doublecortin family protein	0.0022	0.0022	0.0024
Echinococcus multilocularis	Polycystic kidney disease protein	0.0022	0.0022	0.0084
Leishmania major	telomerase reverse transcriptase, putative	0.0948	0.27	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0022	0.0022	0.0023
Onchocerca volvulus		0.0031	0.0046	0.0024
Echinococcus granulosus	Polycystic kidney disease protein	0.0022	0.0022	0.0145
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0022	0.0022	0.0023
Schistosoma mansoni	rab6-interacting	0.0022	0.0022	0.0003
Echinococcus multilocularis	ecdysone induced protein 78C	0.0022	0.0022	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0022	0.0254
Schistosoma mansoni	hypothetical protein	0.0055	0.0115	0.1127
Echinococcus granulosus	lipoxygenase domain containing protein	0.0022	0.0022	0.0145
Onchocerca volvulus		0.0031	0.0046	0.0024
Schistosoma mansoni	lipoxygenase	0.0022	0.0022	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0408	0.4779
Brugia malayi	MH2 domain containing protein	0.0135	0.0349	0.0474
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0022	0.0022	0.0254
Echinococcus multilocularis	lamin	0.0031	0.0046	0.0175
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0022	0.0022	0.0023
Giardia lamblia	Telomerase catalytic subunit	0.0948	0.27	0.5
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0264	0.3095
Echinococcus granulosus	protection of telomeres protein 1	0.0537	0.1512	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Relaxation (functional)	= 76.5 %	Antagonistic activity evaluated by ability to block serotonin induced relaxation (mediated by activation of 5-hydroxytryptamine 4 receptor) in carbamylcholine (10e-6 M) contracted esophagus at a concentration of 10e-5 M.	ChEMBL.	9599243
Relaxation (functional)	= 76.5 %	Antagonistic activity evaluated by ability to block serotonin induced relaxation (mediated by activation of 5-hydroxytryptamine 4 receptor) in carbamylcholine (10e-6 M) contracted esophagus at a concentration of 10e-5 M.	ChEMBL.	9599243

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

No external resources registered for this compound

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 89613