TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 251.366 | Formula: C18H21N
H donors: 0 H acceptors: 0 LogP: 4.24 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CCN1CCCC1c1ccccc1
InChi: 1S/C18H21N/c1-3-8-16(9-4-1)13-15-19-14-7-12-18(19)17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChiKey: KKCDVSHXFBISEW-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
Schistosoma mansoni	transcription factor LCR-F1	0.0107	0.1093	0.1798
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0279	0.0281
Loa Loa (eye worm)	hypothetical protein	0.005	0.0371	0.0882
Entamoeba histolytica	hypothetical protein	0.0107	0.1093	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0339	0.0341
Schistosoma mansoni	Smad4	0.0024	0.0053	0.0086
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0342	0.0814
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0529	0.0869
Schistosoma mansoni	hypothetical protein	0.0289	0.3367	0.5538
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0124	0.0203
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0529	0.1256
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0124	0.218
Echinococcus granulosus	geminin	0.0506	0.6079	1
Onchocerca volvulus		0.003	0.0124	0.0454
Loa Loa (eye worm)	MH2 domain-containing protein	0.0356	0.4209	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0047	0.0339	1
Loa Loa (eye worm)	hypothetical protein	0.0233	0.266	0.632
Brugia malayi	hypothetical protein	0.0107	0.1093	0.2596
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0124	0.0203
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0047	0.0339	0.0557
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0312	0.0513
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0529	0.1256
Brugia malayi	Isocitrate dehydrogenase	0.0047	0.0339	0.0805
Loa Loa (eye worm)	MH2 domain-containing protein	0.0024	0.0053	0.0125
Echinococcus multilocularis	isocitrate dehydrogenase	0.0047	0.0339	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0174	0.0414
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0124	0.0124
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0047	0.0339	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.266	0.2678
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0371	0.0882
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.0339	1
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0053	0.0086
Brugia malayi	MH2 domain containing protein	0.0024	0.0053	0.0125
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0279	0.0459
Brugia malayi	MH2 domain containing protein	0.0024	0.0053	0.0125
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.2362	0.5613
Schistosoma mansoni	patched 1	0.0042	0.0279	0.0459
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0312	0.0741
Schistosoma mansoni	hypothetical protein	0.0041	0.026	0.0428
Mycobacterium tuberculosis	Proteasome alpha subunit PrcA; assembles with beta subunit PrcB.	0.0819	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0371	0.0882
Echinococcus multilocularis	Niemann Pick C1 protein	0.0141	0.1516	0.1526
Loa Loa (eye worm)	Smad1	0.0024	0.0053	0.0125
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0339	0.0341
Echinococcus granulosus	X box binding protein 1	0.0289	0.3367	0.5538
Schistosoma mansoni	hypothetical protein	0.0041	0.026	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0985	0.234
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0107	0.1093	0.1798
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1287	0.3058
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0529	0.0869
Schistosoma mansoni	smad	0.0024	0.0053	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0399	0.0947
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0024	0.0053	0.0053
Brugia malayi	Pre-SET motif family protein	0.0209	0.2362	0.5613
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0174	0.0414
Brugia malayi	MH2 domain containing protein	0.0356	0.4209	1
Onchocerca volvulus		0.0238	0.2723	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0312	0.0513
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.1004	0.1652
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0047	0.0339	0.0341
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0371	0.0882
Echinococcus granulosus	Smad4	0.0024	0.0053	0.0086
Brugia malayi	MH1 domain containing protein	0.0024	0.0053	0.0125
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0024	0.0053	0.0086
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0312	0.0513
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0529	0.0869
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0814	0.9932	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0124	0.0203
Plasmodium vivax	SET domain protein, putative	0.003	0.0124	0.218
Echinococcus multilocularis	protein patched	0.0042	0.0279	0.0281
Mycobacterium ulcerans	proteasome PrcA	0.0819	1	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0238	0.2723	1
Brugia malayi	RNA binding protein	0.0062	0.0529	0.1256
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0124	0.0203
Brugia malayi	Smad1	0.0024	0.0053	0.0125
Echinococcus multilocularis	smad	0.0024	0.0053	0.0053
Brugia malayi	CHE-14 protein	0.0042	0.0279	0.0663
Brugia malayi	hypothetical protein	0.0123	0.1287	0.3058
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0279	0.0663
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0529	0.0532
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0354	0.0357
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0529	0.0869
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.011	0.0181
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0047	0.0339	0.0557
Echinococcus granulosus	Niemann Pick C1 protein	0.0099	0.0985	0.162
Echinococcus granulosus	smad	0.0024	0.0053	0.0086
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0312	0.0314
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0047	0.0339	0.0805
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0047	0.0339	1
Schistosoma mansoni	hypothetical protein	0.0041	0.026	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0063	0.0151
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1287	0.4726
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0529	0.0869
Onchocerca volvulus		0.0047	0.0342	0.1257
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0529	0.1256
Loa Loa (eye worm)	MH1 domain-containing protein	0.0024	0.0053	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0279	0.0663
Echinococcus multilocularis	X box binding protein 1	0.0289	0.3367	0.339
Entamoeba histolytica	hypothetical protein	0.0107	0.1093	1
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0053	0.0086
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0529	0.1256
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0339	1
Entamoeba histolytica	hypothetical protein	0.0107	0.1093	1
Brugia malayi	isocitrate dehydrogenase	0.0047	0.0339	0.0805
Schistosoma mansoni	hypothetical protein	0.0107	0.1093	0.1798
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0339	1
Brugia malayi	hypothetical protein	0.0025	0.0063	0.0151
Echinococcus granulosus	Niemann Pick C1 protein	0.0141	0.1516	0.2493
Echinococcus multilocularis	geminin	0.0506	0.6079	0.6121
Schistosoma mansoni	hypothetical protein	0.0047	0.0342	0.0563
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0047	0.0339	0.0341
Loa Loa (eye worm)	transcription factor SMAD2	0.0356	0.4209	1
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1287	0.4726
Schistosoma mansoni	hypothetical protein	0.0041	0.026	0.0428
Toxoplasma gondii	isocitrate dehydrogenase	0.0047	0.0339	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0107	0.1093	0.11
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1287	0.3058
Loa Loa (eye worm)	hypothetical protein	0.003	0.0124	0.0294
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0047	0.0339	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0312	0.0314
Echinococcus multilocularis	Niemann Pick C1 protein	0.0099	0.0985	0.0992
Schistosoma mansoni	hypothetical protein	0.0506	0.6079	1
Schistosoma mansoni	smad1 5 8 and	0.0024	0.0053	0.0086
Brugia malayi	TAR-binding protein	0.0062	0.0529	0.1256
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.266	0.4375
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0124	0.0203
Brugia malayi	MH1 domain containing protein	0.0024	0.0053	0.0125
Entamoeba histolytica	hypothetical protein	0.0107	0.1093	1
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0279	0.0459
Brugia malayi	hypothetical protein	0.0233	0.266	0.632
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0047	0.0339	1
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0024	0.0053	0.0086
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0342	0.0563
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0529	0.0869
Echinococcus granulosus	expressed conserved protein	0.0093	0.091	0.1497
Brugia malayi	Pre-SET motif family protein	0.003	0.0124	0.0294
Brugia malayi	Niemann-Pick C1 protein precursor	0.0099	0.0985	0.234
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0312	0.0513
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0312	0.0513
Echinococcus multilocularis	Smad4	0.0024	0.0053	0.0053
Echinococcus multilocularis	expressed conserved protein	0.0093	0.091	0.0916
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0124	0.0124
Echinococcus granulosus	mothers against decapentaplegic 5	0.0024	0.0053	0.0086
Schistosoma mansoni	hypothetical protein	0.0034	0.0174	0.0287
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0312	0.0741
Schistosoma mansoni	hypothetical protein	0.0506	0.6079	1
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0024	0.0053	0.0053

Activities

Activity type	Activity value	Assay description	Source	Reference
behavior (functional)	W 0	Gross behavioral effects ascertained in mice; W indicates weak stimulant or depressant activity of little significance.	ChEMBL.	3039136
ED50 (functional)	~ 10 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression measured in mice by motor activity	ChEMBL.	3039136
ED50 (functional)	~ 10 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression in mice measured for ptosis	ChEMBL.	3039136
ED50 (functional)	~ 10 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression measured in mice by motor activity	ChEMBL.	3039136
ED50 (functional)	~ 10 mg kg-1	Antagonism of tetrabenazine(TBZ)-induced depression in mice measured for ptosis	ChEMBL.	3039136
Inhibition (functional)	= 4 %	Ability to inhibit the uptake of tritiated dopamine (DA) 0.1 mg/kg concentration	ChEMBL.	3039136
Inhibition (functional)	= 4 %	Ability to inhibit the uptake of tritiated serotonin(5-HT) 0.1 mg/kg concentration	ChEMBL.	3039136
Inhibition (functional)	= 38 %	Ability to inhibit the uptake of tritiated norepinephrine(NE) 0.1 mg/kg concentration	ChEMBL.	3039136

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: CHEMBL287619

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 46824