TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 305.822 | Formula: C17H22ClN2O-
H donors: 2 H acceptors: 0 LogP: 4.52 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CNCCCCOc1ccccc1Nc1ccccc1.[Cl-]
InChi: 1S/C17H22N2O.ClH/c1-18-13-7-8-14-20-17-12-6-5-11-16(17)19-15-9-3-2-4-10-15;/h2-6,9-12,18-19H,7-8,13-14H2,1H3;1H/p-1
InChiKey: SCECSKPSDJJXBP-UHFFFAOYSA-M

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
Onchocerca volvulus		0.0042	0.0483	0.1319
Loa Loa (eye worm)	serotonin transporter b	0.0152	0.3663	0.3663
Onchocerca volvulus		0.0042	0.0483	0.1319
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0157	0.3802	0.4743
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0082	0.1617	0.2017
Echinococcus multilocularis	voltage gated potassium channel	0.0033	0.0204	0.0254
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0483	0.5
Schistosoma mansoni	glutamate receptor AMPA	0.0142	0.3376	0.4211
Echinococcus multilocularis	glutamate receptor 2	0.0157	0.3802	0.4743
Schistosoma mansoni	voltage-gated potassium channel	0.0124	0.2841	0.3544
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0053	0.0777	0.097
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0053	0.0777	0.097
Echinococcus multilocularis	serotonin transporter	0.0152	0.3663	0.4569
Echinococcus multilocularis	glutamate receptor 2	0.0104	0.2276	0.2839
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0152	0.3663	0.3663
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2105	0.2105
Echinococcus multilocularis	nmda type glutamate receptor	0.0091	0.1888	0.2355
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0483	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0483	0.0603
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0302	0.8017	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0483	1
Loa Loa (eye worm)	glutamate receptor 2	0.0142	0.3376	0.3376
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0371	1	1
Loa Loa (eye worm)	hypothetical protein	0.0176	0.4362	0.4362
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0483	0.5
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0082	0.1617	0.2017
Brugia malayi	beta-lactamase family protein	0.0042	0.0483	0.0483
Echinococcus granulosus	nmda type glutamate receptor	0.0129	0.2988	0.3727
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0157	0.3802	0.4743
Echinococcus granulosus	nmda type glutamate receptor	0.0091	0.1888	0.2355
Brugia malayi	hypothetical protein	0.0117	0.2654	0.2654
Brugia malayi	beta-lactamase family protein	0.0042	0.0483	0.0483
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0106	0.2323	1
Loa Loa (eye worm)	hypothetical protein	0.0371	1	1
Echinococcus granulosus	glutamate receptor 2	0.0104	0.2276	0.2839
Brugia malayi	beta-lactamase	0.0042	0.0483	0.0483
Schistosoma mansoni	glutamate receptor kainate	0.0142	0.3376	0.4211
Brugia malayi	Glutamate receptor 2 precursor	0.0142	0.3376	0.3376
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0255	0.6652	0.8297
Brugia malayi	Glutamate receptor 1 precursor	0.0142	0.3376	0.3376
Toxoplasma gondii	ABC1 family protein	0.0042	0.0483	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0483	0.0483
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0371	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0483	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4745	0.4745
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0082	0.1617	0.2017
Leishmania major	C-8 sterol isomerase-like protein	0.0371	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0033	0.0204	0.0254
Onchocerca volvulus		0.0042	0.0483	0.1319
Treponema pallidum	sodium- and chloride- dependent transporter	0.0152	0.3663	0.5
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0302	0.8017	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0033	0.0204	0.0204
Brugia malayi	Muscleblind-like protein	0.0176	0.4362	0.4362
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0026	0	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0483	0.0603
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0271	0.7121	1
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0053	0.0777	0.097
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0082	0.1617	0.2017
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0483	0.0483
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0082	0.1617	0.1617
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0483	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0033	0.0204	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0204	0.0204
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0152	0.3663	0.4569
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0053	0.0777	0.097
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0483	0.0483
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0082	0.1617	0.2017
Loa Loa (eye worm)	glutamate receptor 1	0.0142	0.3376	0.3376
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0483	0.0483
Plasmodium falciparum	amino acid transporter, putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.1617	0.1617
Schistosoma mansoni	glutamate receptor NMDA	0.0302	0.8017	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0483	0.0483
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0082	0.1617	0.2017
Schistosoma mansoni	sodium/chloride dependent transporter	0.0152	0.3663	0.4569
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0157	0.3802	0.4743
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0157	0.3802	0.4743
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0255	0.6652	0.8297
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0152	0.3663	0.3663
Echinococcus granulosus	muscleblind protein	0.0176	0.4362	0.5441
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0483	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0483	0.0603
Echinococcus multilocularis	glutamate receptor NMDA	0.0076	0.1461	0.1823
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0053	0.0777	0.097
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0053	0.0777	0.097
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0483	0.0483
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0082	0.1617	0.1617
Schistosoma mansoni	voltage-gated potassium channel	0.0033	0.0204	0.0254
Echinococcus granulosus	glutamate receptor NMDA	0.0076	0.1461	0.1823
Echinococcus multilocularis	glutamate receptor 2	0.0142	0.3376	0.4211
Echinococcus multilocularis	nmda type glutamate receptor	0.0129	0.2988	0.3727
Echinococcus multilocularis	muscleblind protein	0.0176	0.4362	0.5441
Echinococcus granulosus	glutamate receptor 2	0.0157	0.3802	0.4743
Schistosoma mansoni	hypothetical protein	0.0053	0.0777	0.097
Mycobacterium ulcerans	lipase LipD	0.0042	0.0483	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0483	0.0603
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0157	0.3802	0.4743
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0157	0.3802	0.4743
Schistosoma mansoni	glutamate receptor kainate	0.0142	0.3376	0.4211
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0483	0.0483
Schistosoma mansoni	glutamate receptor kainate	0.0142	0.3376	0.4211
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0053	0.0777	0.097
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0106	0.2323	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.3663	0.3663
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0255	0.6652	0.6652
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0033	0.0204	0.0254
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0483	0.5
Loa Loa (eye worm)	hypothetical protein	0.0176	0.4362	0.4362
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0157	0.3802	0.4743
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0113	0.2539	0.3167
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0255	0.6652	0.8297
Loa Loa (eye worm)	hypothetical protein	0.0152	0.3663	0.3663
Schistosoma mansoni	voltage-gated potassium channel	0.0124	0.2841	0.3544
Schistosoma mansoni	glutamate receptor NMDA	0.0233	0.6012	0.75
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0157	0.3802	0.4743
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0483	0.0483
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0053	0.0777	0.097
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0113	0.2539	0.2539
Schistosoma mansoni	glutamate receptor AMPA	0.0142	0.3376	0.4211
Onchocerca volvulus		0.0152	0.3663	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0113	0.2539	0.3167
Loa Loa (eye worm)	norepinephrine transporter	0.0152	0.3663	0.3663
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0113	0.2539	0.2539
Echinococcus multilocularis	NMDA receptor	0.0053	0.0777	0.097
Echinococcus multilocularis	muscleblind protein 1	0.0176	0.4362	0.5441
Plasmodium falciparum	transporter, putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0152	0.3663	0.3663
Echinococcus granulosus	serotonin transporter	0.0152	0.3663	0.4569
Onchocerca volvulus	Putative nachr subunit	0.0082	0.1617	0.4415
Schistosoma mansoni	ATP-binding cassette transporter	0.0142	0.3376	0.4211
Echinococcus granulosus	voltage gated potassium channel	0.0033	0.0204	0.0254

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative potency (functional)	= 0.29	The compound was tested for it's ability to prevent the reserpine induced hypothermia in mice	ChEMBL.	7205881

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: 150350

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 49209