TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.407 | Formula: C19H24N2O
H donors: 0 H acceptors: 1 LogP: 4.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: C1CCC2C(C1)CN(CC2)Cc1coc(n1)c1ccccc1
InChi: 1S/C19H24N2O/c1-2-7-16(8-3-1)19-20-18(14-22-19)13-21-11-10-15-6-4-5-9-17(15)12-21/h1-3,7-8,14-15,17H,4-6,9-13H2
InChiKey: AIQMYYPHRQPERI-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	voltage-gated potassium channel	0.0186	0.0069	0.0069
Loa Loa (eye worm)	cathepsin B	0.0485	0.3093	0.3093
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0447	0.2706	0.2706
Trypanosoma cruzi	cruzipain precursor, putative	0.0267	0.0886	0.0886
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Loa Loa (eye worm)	fibroinase	0.0838	0.6674	0.6674
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0838	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0571	0.3968	0.3968
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0643	0.4699	0.4699
Onchocerca volvulus	Cathepsin F homolog	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Loa Loa (eye worm)	hypothetical protein	0.0558	0.3838	0.3838
Brugia malayi	hypothetical protein	0.0228	0.0495	0.0495
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Onchocerca volvulus		0.0838	0.6674	1
Onchocerca volvulus	Cathepsin L homolog	0.0838	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0571	0.3968	0.3968
Onchocerca volvulus		0.0838	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6674	0.6674
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0267	0.0886	0.0886
Onchocerca volvulus		0.0838	0.6674	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1166	1	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0571	0.3968	0.5946
Echinococcus granulosus	tumor protein p63	0.0366	0.189	0.189
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1166	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0571	0.3968	0.3968
Loa Loa (eye worm)	hypothetical protein	0.0571	0.3968	0.3968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0838	0.6674	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Loa Loa (eye worm)	cysteine protease	0.0838	0.6674	0.6674
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Echinococcus multilocularis	cathepsin L	0.0447	0.2706	0.2706
Leishmania major	cysteine peptidase A (CPA)	0.0838	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Plasmodium vivax	unspecified product	0.0267	0.0886	0.1328
Plasmodium vivax	vivapain-1	0.0447	0.2706	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0267	0.0886	0.0886
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0838	0.6674	0.6674
Trypanosoma cruzi	cysteine proteinase, putative	0.0447	0.2706	0.2706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Echinococcus granulosus	cathepsin b	0.1166	1	1
Entamoeba histolytica	cysteine proteinase 2	0.0447	0.2706	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6674	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0571	0.3968	0.3968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0838	0.6674	1
Echinococcus granulosus	cathepsin b	0.1166	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0571	0.3968	0.5946
Echinococcus multilocularis	cathepsin L cysteine protease	0.0838	0.6674	0.6674
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0186	0.0069	0.0069
Toxoplasma gondii	cathepsin B	0.0485	0.3093	0.4634
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0447	0.2706	0.4054
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0186	0.0069	0.0069
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0485	0.3093	0.3093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Entamoeba histolytica	cysteine proteinase, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6674	0.6674
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1166	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0838	0.6674	0.6674
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0643	0.4699	0.4699
Toxoplasma gondii	cathepsin CPL	0.0838	0.6674	1
Echinococcus granulosus	voltage gated potassium channel	0.0186	0.0069	0.0069
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0485	0.3093	0.3093
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0447	0.2706	0.2706
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0838	0.6674	1
Echinococcus granulosus	cysteine protease	0.0447	0.2706	0.2706
Entamoeba histolytica	cysteine proteinase, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0838	0.6674	0.6674
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.6674	1
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0886	0.0886
Plasmodium vivax	unspecified product	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0643	0.4699	0.4699
Loa Loa (eye worm)	hypothetical protein	0.0838	0.6674	0.6674
Trypanosoma cruzi	cysteine proteinase, putative	0.0447	0.2706	0.2706
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Entamoeba histolytica	cysteine proteinase 1, putative	0.0447	0.2706	0.4054
Echinococcus multilocularis	cysteine protease	0.0838	0.6674	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0186	0.0069	0.0069
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0643	0.4699	0.4699
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6674	0.6674
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1166	1	1
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0267	0.0886	0.0886
Onchocerca volvulus		0.0838	0.6674	1
Entamoeba histolytica	cysteine proteinase, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0485	0.3093	0.4634
Plasmodium vivax	vivapain-2	0.0838	0.6674	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0447	0.2706	0.2706
Brugia malayi	Papain family cysteine protease containing protein	0.0838	0.6674	0.6674
Echinococcus multilocularis	survival motor neuron protein 1	0.0228	0.0495	0.0495
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0447	0.2706	0.2706
Trypanosoma cruzi	cysteine protease, putative	0.0447	0.2706	0.2706
Schistosoma mansoni	cathepsin s	0.0267	0.0886	0.0886
Loa Loa (eye worm)	hypothetical protein	0.1166	1	1
Echinococcus granulosus	survival motor neuron protein 1	0.0228	0.0495	0.0495
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0838	0.6674	1
Echinococcus multilocularis	cathepsin b	0.1166	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0571	0.3968	0.5946
Plasmodium vivax	vivapain-2	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.0267	0.0886	0.0886
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Onchocerca volvulus		0.0838	0.6674	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0447	0.2706	0.2706
Brugia malayi	Papain family cysteine protease containing protein	0.0447	0.2706	0.2706
Schistosoma mansoni	voltage-gated potassium channel	0.0186	0.0069	0.0069
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0838	0.6674	0.6674
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Echinococcus multilocularis	cysteine protease	0.0838	0.6674	0.6674
Giardia lamblia	Cathepsin B precursor	0.0485	0.3093	1
Entamoeba histolytica	cysteine protease, putative	0.0838	0.6674	1
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Echinococcus multilocularis	voltage gated potassium channel	0.0186	0.0069	0.0069
Onchocerca volvulus		0.0838	0.6674	1
Brugia malayi	Papain family cysteine protease containing protein	0.0447	0.2706	0.2706
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Onchocerca volvulus	Cathepsin L homolog	0.0838	0.6674	1
Schistosoma mansoni	voltage-gated potassium channel	0.0702	0.5298	0.5298
Schistosoma mansoni	cathepsin F (C01 family)	0.0838	0.6674	0.6674
Echinococcus granulosus	cathepsin l1	0.0571	0.3968	0.3968
Onchocerca volvulus		0.0838	0.6674	1
Giardia lamblia	Cathepsin B precursor	0.0485	0.3093	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0571	0.3968	0.3968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6674	0.6674
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Brugia malayi	Cathepsin L-like precursor	0.0267	0.0886	0.0886
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0838	0.6674	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0886	0.0886
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6674	0.6674
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0186	0.0069	0.0069
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0447	0.2706	0.2706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0571	0.3968	0.3968
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0838	0.6674	0.6674
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1166	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0601	0.427	0.6399
Giardia lamblia	Cathepsin B precursor	0.0485	0.3093	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0601	0.427	0.6399
Plasmodium vivax	vivapain-3	0.0447	0.2706	0.4054
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6674	0.6674
Brugia malayi	Cathepsin L-like precursor	0.0838	0.6674	0.6674
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Brugia malayi	cathepsin L-like precursor	0.0571	0.3968	0.3968
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0886	0.0886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Entamoeba histolytica	cysteine proteinase, putative	0.0838	0.6674	1
Echinococcus multilocularis	tumor protein p63	0.0366	0.189	0.189
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0838	0.6674	1
Entamoeba histolytica	cysteine proteinase, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0447	0.2706	0.4054
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6674	0.6674
Loa Loa (eye worm)	ctsf protein	0.0838	0.6674	0.6674
Echinococcus granulosus	cathepsin L	0.0447	0.2706	0.2706
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Onchocerca volvulus		0.0571	0.3968	0.5946
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0838	0.6674	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0228	0.0495	0.0495
Trypanosoma cruzi	cruzipain precursor, putative	0.0838	0.6674	0.6674
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Echinococcus multilocularis	cathepsin b	0.1166	1	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0485	0.3093	0.0976
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0838	0.6674	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0838	0.6674	0.6674
Loa Loa (eye worm)	hypothetical protein	0.0571	0.3968	0.3968
Trypanosoma cruzi	cysteine peptidase, putative	0.0838	0.6674	0.6674
Entamoeba histolytica	cysteine protease, putative	0.0447	0.2706	0.4054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0838	0.6674	1
Schistosoma mansoni	voltage-gated potassium channel	0.0702	0.5298	0.5298
Leishmania major	cathepsin L-like protease	0.0838	0.6674	1
Echinococcus granulosus	cathepsin l1	0.0838	0.6674	0.6674

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 37 %	DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1	ChEMBL.	No reference

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: CHEMBL1857971

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 1052814