TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 233.306 | Formula: C14H19NO2
H donors: 0 H acceptors: 1 LogP: 2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@H]1CCN(C[C@@H]1c1ccccc1)C
InChi: 1S/C14H19NO2/c1-15-9-8-12(14(16)17-2)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13+/m0/s1
InChiKey: BECMETUEDNJRIY-QWHCGFSZSA-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
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0313	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0278	0.1038
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0059	0.0874	0.0613
Brugia malayi	Cathepsin L-like precursor	0.0043	0.0278	0.0278
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0059	0.0874	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Brugia malayi	Cathepsin L-like precursor	0.0059	0.0874	0.0874
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Onchocerca volvulus	Cathepsin L homolog	0.0059	0.0874	1
Brugia malayi	Cathepsin L-like precursor	0.0059	0.0874	0.0874
Giardia lamblia	Cathepsin B precursor	0.011	0.2681	0.5
Echinococcus multilocularis	cysteine protease	0.0059	0.0874	0.0874
Echinococcus granulosus	cathepsin l1	0.0059	0.0874	0.0874
Brugia malayi	Cathepsin L-like precursor	0.0059	0.0874	0.0874
Brugia malayi	Cathepsin L-like precursor	0.0043	0.0278	0.0278
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0059	0.0874	1
Onchocerca volvulus		0.0059	0.0874	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0043	0.0278	0.0278
Giardia lamblia	Cathepsin B precursor	0.011	0.2681	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0059	0.0874	0.0874
Onchocerca volvulus		0.0059	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Entamoeba histolytica	cysteine proteinase, putative	0.0059	0.0874	1
Onchocerca volvulus	Cathepsin L homolog	0.0059	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0059	0.0874	0.0613
Echinococcus granulosus	cathepsin l1	0.0043	0.0278	0.0278
Echinococcus multilocularis	cathepsin b	0.0313	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.011	0.2681	0.2681
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0313	1	1
Echinococcus multilocularis	cathepsin b	0.0313	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0313	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0313	1	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0874	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0313	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Echinococcus granulosus	cathepsin b	0.0313	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0059	0.0874	0.3262
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0313	1	1
Toxoplasma gondii	cathepsin B	0.011	0.2681	1
Onchocerca volvulus		0.0059	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Loa Loa (eye worm)	ctsf protein	0.0059	0.0874	0.0613
Schistosoma mansoni	cathepsin F (C01 family)	0.0059	0.0874	0.0874
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0043	0.0278	0.0278
Echinococcus multilocularis	cathepsin L cysteine protease	0.0059	0.0874	0.0874
Onchocerca volvulus		0.0059	0.0874	1
Loa Loa (eye worm)	cysteine protease	0.0059	0.0874	0.0613
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0059	0.0874	0.0874
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0059	0.0874	0.0874
Loa Loa (eye worm)	cathepsin B	0.011	0.2681	0.2472
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Entamoeba histolytica	cysteine proteinase, putative	0.0043	0.0278	0.3182
Echinococcus granulosus	cathepsin b	0.0313	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.011	0.2681	1
Loa Loa (eye worm)	fibroinase	0.0059	0.0874	0.0613
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0059	0.0874	0.0874
Schistosoma mansoni	cathepsin F (C01 family)	0.0059	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.011	0.2681	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Onchocerca volvulus		0.0059	0.0874	1
Brugia malayi	cathepsin L-like precursor	0.0043	0.0278	0.0278
Echinococcus multilocularis	cysteine protease	0.0059	0.0874	0.0874
Giardia lamblia	Cathepsin B precursor	0.011	0.2681	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.0278	0.1038
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0059	0.0874	0.0874
Onchocerca volvulus		0.0059	0.0874	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.011	0.2681	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Entamoeba histolytica	cysteine protease, putative	0.0059	0.0874	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Brugia malayi	Cathepsin L-like precursor	0.0059	0.0874	0.0874
Trypanosoma cruzi	cysteine peptidase, putative	0.0059	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Brugia malayi	Papain family cysteine protease containing protein	0.0059	0.0874	0.0874
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Schistosoma mansoni	cathepsin F (C01 family)	0.0043	0.0278	0.0278
Plasmodium vivax	vivapain-2	0.0059	0.0874	1
Plasmodium vivax	vivapain-2	0.0059	0.0874	1
Onchocerca volvulus		0.0059	0.0874	1
Brugia malayi	Cathepsin L-like precursor	0.0059	0.0874	0.0874
Brugia malayi	Cathepsin L-like precursor	0.0059	0.0874	0.0874
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Entamoeba histolytica	cysteine proteinase, putative	0.0059	0.0874	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.011	0.2681	0.2681
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0059	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0059	0.0874	0.3262
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0059	0.0874	0.3262
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Onchocerca volvulus	Cathepsin F homolog	0.0059	0.0874	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0059	0.0874	0.3262
Trypanosoma cruzi	cruzipain precursor, putative	0.0059	0.0874	0.0874

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 16 mg kg-1	Antiwrithing activity in sc dosed mouse assessed as prevention of acetylcholine-induced abdominal constriction response	ChEMBL.	31481

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: CHEMBL3277647

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1906709