TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 318.861 | Formula: C19H25ClNO-
H donors: 1 H acceptors: 0 LogP: 5.27 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCNCCCCOc1ccccc1Cc1ccccc1.[Cl-]
InChi: 1S/C19H25NO.ClH/c1-2-20-14-8-9-15-21-19-13-7-6-12-18(19)16-17-10-4-3-5-11-17;/h3-7,10-13,20H,2,8-9,14-16H2,1H3;1H/p-1
InChiKey: FMNMHIUGFCAYTA-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
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.0551	0.9658
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0394	0.1099
Echinococcus granulosus	cpg binding protein	0.0031	0.0261	0.0259
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0074	0.0072
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0315	0.3582	0.3581
Onchocerca volvulus		0.0043	0.0394	0.0966
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0351	0.4005	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0615	0.0545
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0808	0.9361	0.9361
Schistosoma mansoni	hypothetical protein	0.0863	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0615	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.1096
Schistosoma mansoni	hypothetical protein	0.0863	1	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0537	0.0397
Onchocerca volvulus		0.0043	0.0394	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0537	0.1496
Plasmodium vivax	ataxin-2 like protein, putative	0.0055	0.0537	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0958	0.0891
Schistosoma mansoni	hypothetical protein	0.0033	0.0282	0.021
Brugia malayi	beta-lactamase family protein	0.0043	0.0394	0.1099
Leishmania major	mitochondrial DNA polymerase beta	0.0351	0.4005	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0049	0.0472	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0315	0.3582	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0166	0.1839	0.4004
Toxoplasma gondii	LsmAD domain-containing protein	0.0055	0.0537	0.8782
Brugia malayi	RNA binding protein	0.0062	0.0615	0.1716
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.2832	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0958	0.0957
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0394	0.0392
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1925	0.6282
Schistosoma mansoni	serine/threonine protein kinase	0.032	0.3642	0.3595
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0251	0.2832	0.7906
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0394	0.1096
Brugia malayi	TAR-binding protein	0.0062	0.0615	0.1716
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.063	0.056
Loa Loa (eye worm)	hypothetical protein	0.0315	0.3582	1
Schistosoma mansoni	cpg binding protein	0.0031	0.0261	0.0188
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0462	0.129
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0025	0.0182	0.0181
Onchocerca volvulus		0.0043	0.0394	0.0966
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0185	0.2059	0.6186
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0074	0.0072
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0166	0.1839	0.4004
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0958	0.0957
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0049	0.0472	0.0217
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0049	0.0472	0.0217
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.1925	0.6282
Schistosoma mansoni	cpg binding protein	0.003	0.0241	0.0169
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0958	0.0891
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0241	0.0669
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0049	0.0472	0.0217
Echinococcus multilocularis	geminin	0.0863	1	1
Brugia malayi	hypothetical protein	0.0055	0.0537	0.1499
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0537	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0615	0.0545
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0958	0.0957
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0351	0.4005	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0958	0.0957
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0394	0.0392
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0074	0.0206
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.0958	0.2671
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0074	0.0072
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.2832	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0462	0.129
Toxoplasma gondii	hypothetical protein	0.0057	0.0557	1
Echinococcus multilocularis	cpg binding protein	0.0031	0.0261	0.0259
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0615	0.1716
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0615	0.0545
Mycobacterium ulcerans	hypothetical protein	0.0185	0.2059	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0615	0.1713
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0615	0.1713
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0025	0.0182	0.0181
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.2832	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0074	0.0202
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0351	0.4005	1
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0315	0.3582	0.3581
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0615	0.0613
Brugia malayi	Protein kinase domain containing protein	0.0315	0.3582	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0055	0.0537	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.1096
Brugia malayi	beta-lactamase	0.0043	0.0394	0.1099
Echinococcus granulosus	GPCR family 2	0.0015	0.0074	0.0072
Brugia malayi	hypothetical protein	0.0147	0.1616	0.451
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.2832	1
Loa Loa (eye worm)	hypothetical protein	0.0147	0.1616	0.4508
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.006	0.0598	0.0567
Trypanosoma brucei	PAB1-binding protein , putative	0.0055	0.0537	0.0397
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0074	0.0072
Brugia malayi	CXXC zinc finger family protein	0.003	0.0241	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.1096
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.0958	0.2674
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0074	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0282	0.0785
Onchocerca volvulus	Glucosylceramidase homolog	0.0165	0.1822	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0462	0.1286
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0615	0.0613
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0394	0.1096
Schistosoma mansoni	cpg binding protein	0.0031	0.0261	0.0188
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0394	0.0322
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	0.0315	0.3582	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0282	0.0788
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0394	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0394	0.5
Schistosoma mansoni	hypothetical protein	0.0025	0.0182	0.011
Brugia malayi	hypothetical protein	0.0035	0.0309	0.0863
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0462	0.1286
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.2832	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.1096
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0166	0.1839	0.4004
Brugia malayi	beta-lactamase family protein	0.0043	0.0394	0.1099
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0074	0.0206
Trichomonas vaginalis	glucosylceramidase, putative	0.0251	0.2832	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0394	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0394	0.1096
Trypanosoma cruzi	PAB1-binding protein , putative	0.0055	0.0537	0.0397
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0074	0.0202
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0251	0.2832	0.7905
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0615	0.1713
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0958	0.0891
Leishmania major	hypothetical protein, conserved	0.0055	0.0537	0.0397
Onchocerca volvulus		0.0147	0.1616	0.8697
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0273	0.3086	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0165	0.1822	0.5857
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0615	0.0545

Activities

Activity type	Activity value	Assay description	Source	Reference
Relative potency (functional)	= 0.53	Ability to prevent the reserpine induced hypothermia in mice relative to amitriptyline	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: 151605

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 49879