TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 268.353 | Formula: C17H20N2O
H donors: 0 H acceptors: 1 LogP: 2.21 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CCC1=O)Cc1cccc2c1cccc2
InChi: 1S/C17H20N2O/c1-18-11-12-19(10-9-17(18)20)13-15-7-4-6-14-5-2-3-8-16(14)15/h2-8H,9-13H2,1H3
InChiKey: GBDSFKBADREYBU-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
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0264	0.0264
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.4303	0.8997
Plasmodium vivax	vivapain-2	0.002	0.0739	1
Loa Loa (eye worm)	fibroinase	0.002	0.0739	0.0739
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0739	1
Schistosoma mansoni	ferritin	0.001	0.003	0.003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0042	0.0178
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0042	0.0042
Onchocerca volvulus	Cathepsin F homolog	0.002	0.0739	1
Echinococcus multilocularis	cysteine protease	0.002	0.0739	0.0739
Onchocerca volvulus		0.002	0.0739	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0264	0.0264
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0264	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Schistosoma mansoni	apoferritin-2	0.001	0.003	0.003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0264	0.0264
Echinococcus multilocularis	expressed protein	0.001	0.003	0.003
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.4778	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0264	0.3303
Echinococcus granulosus	tar DNA binding protein	0.0146	1	1
Schistosoma mansoni	ferritin light chain	0.001	0.003	0.003
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.4778	1
Schistosoma mansoni	ferritin	0.001	0.003	0.003
Echinococcus granulosus	cathepsin L cysteine protease	0.001	0.0042	0.0042
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0264	0.0264
Echinococcus granulosus	cathepsin l1	0.0013	0.0264	0.0264
Schistosoma mansoni	ferritin	0.001	0.003	0.003
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.9549	0.9549
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Echinococcus granulosus	expressed protein	0.001	0.003	0.003
Loa Loa (eye worm)	RNA binding protein	0.0146	1	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0739	0.0739
Onchocerca volvulus		0.002	0.0739	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	1	1
Leishmania major	cathepsin L-like protease	0.0075	0.4778	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0264	0.3303
Leishmania major	cathepsin L-like protease	0.0075	0.4778	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0739	0.0739
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0264	0.0264
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Onchocerca volvulus		0.002	0.0739	1
Echinococcus multilocularis	cysteine protease	0.002	0.0739	0.0739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Echinococcus granulosus	cathepsin L	0.001	0.0042	0.0042
Mycobacterium ulcerans	bacterioferritin BfrA	0.001	0.003	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0042	0.0042
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0042	0.0042
Echinococcus multilocularis	ferritin	0.001	0.003	0.003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0264	0.0264
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.001	0.003	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0739	1
Leishmania major	cathepsin L-like protease	0.0075	0.4778	1
Brugia malayi	TAR-binding protein	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.4778	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0739	0.0739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.002	0.0739	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0739	0.0739
Entamoeba histolytica	cysteine proteinase, putative	0.002	0.0739	1
Echinococcus multilocularis	tar DNA binding protein	0.0146	1	1
Echinococcus granulosus	cysteine protease	0.001	0.0042	0.0042
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0739	0.0739
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Toxoplasma gondii	cathepsin CPL	0.002	0.0739	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	1	1
Onchocerca volvulus		0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0739	0.0739
Echinococcus multilocularis	cathepsin L cysteine protease	0.002	0.0739	0.0739
Schistosoma mansoni	cathepsin F (C01 family)	0.002	0.0739	0.0739
Onchocerca volvulus		0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.002	0.0739	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.001	0.0042	0.0042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.001	0.003	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0146	1	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0739	0.0739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Brugia malayi	cathepsin L-like precursor	0.0013	0.0264	0.0264
Plasmodium vivax	vivapain-2	0.002	0.0739	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0739	0.0739
Echinococcus granulosus	cathepsin L cysteine proteinase	0.002	0.0739	0.0739
Brugia malayi	Papain family cysteine protease containing protein	0.001	0.0042	0.0042
Echinococcus granulosus	cathepsin l1	0.002	0.0739	0.0739
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.002	0.0739	0.0739
Mycobacterium ulcerans	bacterioferritin BfrB	0.001	0.003	0.5
Schistosoma mansoni	ferritin	0.001	0.003	0.003
Brugia malayi	Papain family cysteine protease containing protein	0.002	0.0739	0.0739
Entamoeba histolytica	cysteine protease, putative	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Loa Loa (eye worm)	cysteine protease	0.002	0.0739	0.0739
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.001	0.003	0.5
Echinococcus granulosus	ferritin	0.001	0.003	0.003
Onchocerca volvulus		0.002	0.0739	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.3606	0.7525
Trypanosoma cruzi	cysteine peptidase, putative	0.002	0.0739	0.1472
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0146	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Brugia malayi	Cathepsin L-like precursor	0.002	0.0739	0.0739
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.002	0.0739	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.4778	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.002	0.0739	0.0739
Brugia malayi	Cathepsin L-like precursor	0.002	0.0739	0.0739
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.001	0.003	0.5
Onchocerca volvulus		0.002	0.0739	1
Schistosoma mansoni	ferritin light chain	0.001	0.003	0.003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Schistosoma mansoni	apoferritin-2	0.001	0.003	0.003
Echinococcus granulosus	cathepsin l cysteine peptidase	0.002	0.0739	0.0739
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.9549	0.9549
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Echinococcus multilocularis	cathepsin L	0.001	0.0042	0.0042
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Loa Loa (eye worm)	ctsf protein	0.002	0.0739	0.0739
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.002	0.0739	0.0739
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.002	0.0739	1
Schistosoma mansoni	tar DNA-binding protein	0.0146	1	1
Onchocerca volvulus	Cathepsin L homolog	0.002	0.0739	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0264	0.0264
Treponema pallidum	bacterioferrin (TpF1)	0.001	0.003	0.5
Plasmodium falciparum	cysteine proteinase falcipain 3	0.002	0.0739	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.4778	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.001	0.0042	0.0178
Brugia malayi	MH2 domain containing protein	0.014	0.9549	0.9549

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 812466