TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.89 | Formula: C21H26ClNO2
H donors: 0 H acceptors: 1 LogP: 4.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCC(CC1)(OC(=O)C)c1ccccc1Cc1ccccc1.Cl
InChi: 1S/C21H25NO2.ClH/c1-17(23)24-21(12-14-22(2)15-13-21)20-11-7-6-10-19(20)16-18-8-4-3-5-9-18;/h3-11H,12-16H2,1-2H3;1H
InChiKey: KTDPCAWAGCSCMC-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
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0257
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0257
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0133	0.0514	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0091	0.0257	0.5009
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0099	0.0308	0.0323
Onchocerca volvulus		0.0091	0.0257	0.3777
Schistosoma mansoni	rgs-gaip interacting protein gipc	0.0091	0.0257	0.0269
Onchocerca volvulus	4.1 G protein, putative homolog	0.0091	0.0257	0.3777
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0091	0.0257	0.0257
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0257
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0259
Brugia malayi	hypothetical protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Brugia malayi	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine-phosphatase	0.0091	0.0257	0.0269
Brugia malayi	hypothetical protein	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0091	0.0257	0.0259
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0133	0.0514	0.0538
Loa Loa (eye worm)	dual specificity protein phosphatase CDC14B	0.0091	0.0257	0.0269
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0149	0.0607	0.0607
Onchocerca volvulus		0.0091	0.0257	0.3777
Echinococcus granulosus	protein tyrosine phosphatase n9	0.0091	0.0257	0.0257
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Trypanosoma brucei	protein tyrosine phosphatase 1	0.0091	0.0257	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0259
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0149	0.0607	0.061
Entamoeba histolytica	rodhanase-like domain containing protein	0.0065	0.0102	0.3953
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0259
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0142	0.0565	0.0591
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0259
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0091	0.0257	0.0269
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.1701	0.9949	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0142	0.0565	0.0568
Onchocerca volvulus		0.0091	0.0257	0.3777
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Entamoeba histolytica	rodhanase-like domain containing protein	0.0065	0.0102	0.3953
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0099	0.0308	0.0323
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0257
Plasmodium vivax	serine/threonine protein phosphatase 2B catalytic subunit A, putative	0.0048	0	0.5
Schistosoma mansoni	protein-tyrosine phosphatase non-receptor type nt5	0.0091	0.0257	0.0269
Schistosoma mansoni	pcd6 interacting protein-related	0.0091	0.0257	0.0269
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0091	0.0257	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0142	0.0565	0.0591
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1635	0.9553	0.9553
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.005	0.0009	0.001
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	hypothetical protein	0.0091	0.0257	0.0269
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0102	0.0106
Onchocerca volvulus		0.0091	0.0257	0.3777
Onchocerca volvulus		0.0091	0.0257	0.3777
Plasmodium falciparum	serine/threonine protein phosphatase 2B catalytic subunit A	0.0048	0	0.5
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0149	0.0607	0.0635
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0133	0.0514	0.0516
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0149	0.0607	0.061
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Trichomonas vaginalis	pten, drome, putative	0.0091	0.0257	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1635	0.9553	1
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1635	0.9553	1
Leishmania major	tyrosine specific protein phosphatase, putative	0.0133	0.0514	1
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0102	0.0106
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0142	0.0565	0.0591
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	protein tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1635	0.9553	0.9602
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Toxoplasma gondii	protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein	0.0048	0	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0257
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0149	0.0607	0.0607
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0257
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0099	0.0308	0.0308
Onchocerca volvulus		0.0091	0.0257	0.3777
Brugia malayi	Protein-tyrosine phosphatase 1	0.0091	0.0257	0.0269
Echinococcus multilocularis	m phase inducer phosphatase(cdc25)	0.0065	0.0102	0.0102
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0091	0.0257	0.0269
Echinococcus multilocularis	receptor type tyrosine protein phosphatase H	0.0091	0.0257	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Echinococcus granulosus	Receptor type tyrosine protein phosphatase O	0.0091	0.0257	0.0257
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	hypothetical protein	0.0091	0.0257	0.0269
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0091	0.0257	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0257
Schistosoma mansoni	non-receptor protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Leishmania major	protein-tyrosine phosphatase 1-like protein	0.0091	0.0257	0.5009
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Giardia lamblia	Protein tyrosine phosphatase	0.0091	0.0257	0.5
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0257
Brugia malayi	Protein-tyrosine phosphatase	0.0099	0.0308	0.0323
Onchocerca volvulus		0.0091	0.0257	0.3777
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0142	0.0565	0.0568
Echinococcus multilocularis	hypothetical protein	0.0091	0.0257	0.0259
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0133	0.0514	0.0516
Entamoeba histolytica	rodhanase-like domain containing protein	0.0065	0.0102	0.3953
Schistosoma mansoni	m-phase inducer phosphatase(cdc25)	0.0065	0.0102	0.0106
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0259
Schistosoma mansoni	protein-tyrosine phosphatase n9	0.0091	0.0257	0.0269
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.1701	0.9949	0.9949
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Echinococcus multilocularis	protein tyrosine phosphatase n9	0.0091	0.0257	0.0259
Loa Loa (eye worm)	hypothetical protein	0.006	0.0071	0.0074
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Schistosoma mansoni	protein tyrosine phosphatase	0.0099	0.0308	0.0323
Schistosoma mansoni	protein tyrosine phosphatase	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0091	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.006	0.0071	0.0074
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Schistosoma mansoni	protein tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	Rhodanese-like domain containing protein	0.0065	0.0102	0.0106
Brugia malayi	Protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0149	0.0607	0.061
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0091	0.0257	1
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0133	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0091	0.0257	0.0257
Brugia malayi	Rhodanese-like domain containing protein	0.0065	0.0102	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Echinococcus multilocularis		0.0091	0.0257	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0018	0.0019
Trypanosoma cruzi	tyrosine specific protein phosphatase, putative	0.0133	0.0514	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Brugia malayi	Dual specificity protein phosphatase CDC14B	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777
Onchocerca volvulus		0.0091	0.0257	0.3777
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Schistosoma mansoni	receptor protein tyrosine phosphatase r (pcptp1)	0.0091	0.0257	0.0269
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0099	0.0308	0.031
Echinococcus granulosus	m phase inducer phosphatasecdc25	0.0065	0.0102	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.1635	0.9553	1
Schistosoma mansoni	receptor protein tyrosine phosphatase n (ia2)	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0091	0.0257	0.0259
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0133	0.0514	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0091	0.0257	0.0269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0091	0.0257	0.0269
Onchocerca volvulus		0.0091	0.0257	0.3777

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	> 20 mg kg-1	Antidepressant activity in ip dosed CD1 mouse assessed as inhibition of tetrabenazine methanesulfonate-induced reserpine like behavior administered 30 mins before tetrabenazine methanesulfonate challenge measured after 30 mins	ChEMBL.	533882

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: CHEMBL3250699

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1896944