TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.385 | Formula: C17H24N2O
H donors: 0 H acceptors: 1 LogP: 2.04 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cn1)C1COC2(C1)CCN(CC2)CC1CC1
InChi: 1S/C17H24N2O/c1-2-15(11-18-7-1)16-10-17(20-13-16)5-8-19(9-6-17)12-14-3-4-14/h1-2,7,11,14,16H,3-6,8-10,12-13H2
InChiKey: MRGUTOOQBFMAPF-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
Plasmodium vivax	vivapain-2	0.0078	0.1974	0.002
Loa Loa (eye worm)	ctsf protein	0.0078	0.1974	0.1579
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0115	0.4315	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0078	0.1963	0.0116
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Onchocerca volvulus	Cathepsin L homolog	0.0078	0.1974	1
Giardia lamblia	Encystation-specific protease	0.0078	0.1963	0.0116
Entamoeba histolytica	cysteine protease, putative	0.0078	0.1974	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.1974	0.1579
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Loa Loa (eye worm)	cysteine protease	0.0078	0.1974	0.1579
Echinococcus granulosus	cathepsin l1	0.0078	0.1974	0.1579
Onchocerca volvulus		0.0078	0.1974	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Loa Loa (eye worm)	fibroinase	0.0078	0.1974	0.1579
Leishmania major	cathepsin L-like protease	0.0105	0.3713	1
Leishmania major	cathepsin L-like protease	0.0078	0.1974	0.0454
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0078	0.1974	0.3914
Schistosoma mansoni	cathepsin F (C01 family)	0.0078	0.1974	0.1579
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1974	0.1579
Plasmodium vivax	vivapain-2	0.0078	0.1974	0.002
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1974	0.1579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Leishmania major	cathepsin L-like protease	0.0078	0.1974	0.0454
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0078	0.1974	0.002
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Leishmania major	cathepsin L-like protease	0.0105	0.3713	1
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.0173	0.8016	0.7918
Leishmania major	cysteine peptidase A (CPA)	0.0078	0.1974	0.0454
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0078	0.1963	0.0116
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1974	0.1579
Onchocerca volvulus	Cathepsin L homolog	0.0078	0.1974	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3713	0.3713
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Brugia malayi	Papain family cysteine protease containing protein	0.0078	0.1974	0.1579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1974	0.1579
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.0173	0.8016	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0078	0.1974	0.1579
Trypanosoma cruzi	cruzipain precursor, putative	0.0105	0.3713	0.3713
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.1974	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0078	0.1974	0.1579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Onchocerca volvulus		0.0078	0.1974	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Onchocerca volvulus		0.0078	0.1974	1
Loa Loa (eye worm)	cathepsin B	0.0077	0.1892	0.1493
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0077	0.1892	0.37
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Toxoplasma gondii	cathepsin CPC1	0.0173	0.8016	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0078	0.1974	0.1579
Leishmania major	cathepsin L-like protease	0.0078	0.1974	0.0454
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0082	0.2208	0.2208
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0077	0.1892	0.1892
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Onchocerca volvulus	Cathepsin F homolog	0.0078	0.1974	1
Leishmania major	cathepsin L-like protease	0.0105	0.3713	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3713	0.3713
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0078	0.1974	0.002
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.0173	0.8016	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0078	0.1974	0.1974
Onchocerca volvulus		0.0078	0.1974	1
Leishmania major	cathepsin L-like protease	0.0078	0.1974	0.0454
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1974	0.1579
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0078	0.1974	0.1579
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1974	0.1579
Brugia malayi	Cathepsin L-like precursor	0.0078	0.1974	0.1579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Toxoplasma gondii	preprocathepsin c precursor, putative	0.0173	0.8016	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.0173	0.8016	1
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.0173	0.8016	1
Leishmania major	cathepsin L-like protease	0.0078	0.1974	0.0454
Onchocerca volvulus		0.0078	0.1974	1
Onchocerca volvulus		0.0078	0.1974	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0105	0.3713	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0078	0.1974	0.002
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0077	0.1892	0.1493
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.0173	0.8016	1
Toxoplasma gondii	cathepsin CPC2	0.0078	0.1963	0.0116
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0078	0.1974	0.3914
Entamoeba histolytica	cysteine proteinase, putative	0.0078	0.1974	1
Onchocerca volvulus		0.0078	0.1974	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0105	0.3713	0.3713
Toxoplasma gondii	cathepsin CPL	0.0078	0.1974	0.0135
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0078	0.1974	0.3914

Activities

No activities found for this compound.

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: CHEMBL3556028

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1940952