TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 247.333 | Formula: C15H21NO2
H donors: 0 H acceptors: 0 LogP: 1.87 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COC1(OC)CC2C1(CN(C2)C)c1ccccc1
InChi: 1S/C15H21NO2/c1-16-10-13-9-15(17-2,18-3)14(13,11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChiKey: JRMSLSLIBPCNIP-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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)	fibroinase	0.0113	0.2984	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0154	0.4506	0.5943
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Brugia malayi	hypothetical protein	0.0237	0.7582	1
Brugia malayi	calpain family protein 1	0.0053	0.074	0.0832
Trypanosoma cruzi	cysteine proteinase, putative	0.006	0.1017	0.2047
Brugia malayi	Cathepsin L-like precursor	0.0113	0.2984	0.3838
Onchocerca volvulus		0.0113	0.2984	1
Trypanosoma cruzi	cysteine protease, putative	0.006	0.1017	0.2047
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Trypanosoma cruzi	cysteine proteinase, putative	0.006	0.1017	0.2047
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0113	0.2984	0.2824
Echinococcus granulosus	cathepsin L	0.006	0.1017	0.0499
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0113	0.2984	1
Echinococcus granulosus	cathepsin b	0.0154	0.4506	0.4189
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0048	0.0545	0.097
Schistosoma mansoni	cathepsin D (A01 family)	0.014	0.3987	0.8817
Brugia malayi	Cathepsin L-like precursor	0.0113	0.2984	0.3838
Toxoplasma gondii	cathepsin CPL	0.0113	0.2984	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0048	0.0545	0.0719
Entamoeba histolytica	cysteine proteinase, putative	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Onchocerca volvulus	Cathepsin L homolog	0.0113	0.2984	1
Plasmodium falciparum	cysteine proteinase falcipain 1	0.006	0.1017	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1643	0.2167
Echinococcus multilocularis	cysteine protease	0.0113	0.2984	0.2824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0077	0.1643	0.2042
Trypanosoma cruzi	cruzipain precursor, putative	0.0113	0.2984	0.653
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Echinococcus granulosus	calpain A	0.0055	0.0829	0.03
Plasmodium vivax	vivapain-3	0.006	0.1017	0.3134
Echinococcus multilocularis	cathepsin b	0.0154	0.4506	0.4381
Loa Loa (eye worm)	cysteine protease	0.0113	0.2984	0.3935
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0113	0.2984	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0113	0.2984	0.653
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	0.4506	1
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0113	0.2984	0.2824
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like precursor	0.0113	0.2984	0.3838
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Onchocerca volvulus	Cathepsin F homolog	0.0113	0.2984	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0113	0.2984	0.653
Loa Loa (eye worm)	hypothetical protein	0.0237	0.7582	1
Echinococcus multilocularis	cysteine protease	0.0113	0.2984	0.2824
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	0.4506	1
Echinococcus granulosus	cathepsin l1	0.0113	0.2984	0.2579
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0055	0.0829	0.03
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0077	0.1643	0.4502
Brugia malayi	Papain family cysteine protease containing protein	0.006	0.1017	0.1203
Brugia malayi	cathepsin B-like cysteine proteinase	0.0154	0.4506	0.5878
Plasmodium vivax	vivapain-2	0.0113	0.2984	1
Onchocerca volvulus		0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.006	0.1017	0.1936
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0077	0.1643	0.3473
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0119	0.0157
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like precursor	0.0113	0.2984	0.3838
Echinococcus granulosus	cysteine protease	0.006	0.1017	0.0499
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.006	0.1017	0.2047
Echinococcus granulosus	cathepsin l1	0.0077	0.1643	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0053	0.074	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0517	0.0683
Trypanosoma cruzi	cysteine peptidase, putative	0.0113	0.2984	0.653
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Leishmania major	cysteine peptidase A (CPA)	0.0113	0.2984	1
Brugia malayi	Papain family cysteine protease containing protein	0.006	0.1017	0.1203
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Giardia lamblia	Cathepsin B precursor	0.0064	0.117	0.5
Entamoeba histolytica	cysteine protease, putative	0.0113	0.2984	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like precursor	0.0113	0.2984	0.3838
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.006	0.1017	0.2047
Loa Loa (eye worm)	calpain family protein 1	0.0039	0.0222	0.0293
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0113	0.2984	0.3935
Onchocerca volvulus		0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Echinococcus multilocularis	calpain A	0.0055	0.0829	0.062
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0113	0.2984	1
Echinococcus granulosus	cathepsin b	0.0154	0.4506	0.4189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.074	0.0976
Trypanosoma cruzi	cysteine peptidase, putative	0.006	0.1017	0.2047
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0154	0.4506	1
Onchocerca volvulus	Cathepsin L homolog	0.0113	0.2984	1
Onchocerca volvulus		0.0113	0.2984	1
Echinococcus multilocularis	cathepsin L	0.006	0.1017	0.0813
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Brugia malayi	Papain family cysteine protease containing protein	0.0113	0.2984	0.3838
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0154	0.4506	1
Onchocerca volvulus		0.0077	0.1643	0.5506
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Plasmodium vivax	aspartyl proteinase, putative	0.0048	0.0545	0.1486
Plasmodium vivax	unspecified product	0.006	0.1017	0.3134
Brugia malayi	calpain family protein 1	0.0053	0.074	0.0832
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0113	0.2984	0.2579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Giardia lamblia	Cathepsin B precursor	0.0064	0.117	0.5
Loa Loa (eye worm)	ctsf protein	0.0113	0.2984	0.3935
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0154	0.4506	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0113	0.2984	0.2579
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.0829	0.1618
Schistosoma mansoni	cathepsin F (C01 family)	0.0113	0.2984	0.653
Echinococcus multilocularis	cathepsin b	0.0154	0.4506	0.4381
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like precursor	0.0113	0.2984	0.3838
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Loa Loa (eye worm)	cathepsin B	0.0064	0.117	0.1543
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.006	0.1017	0.1936
Brugia malayi	cathepsin L-like precursor	0.0077	0.1643	0.2042
Giardia lamblia	Cathepsin B precursor	0.0064	0.117	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0064	0.117	0.2395
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0048	0.0545	0.033
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0119	0.0157
Schistosoma mansoni	cathepsin D (A01 family)	0.014	0.3987	0.8817
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0053	0.074	0.1415
Loa Loa (eye worm)	hypothetical protein	0.0113	0.2984	0.3935
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Plasmodium vivax	vivapain-2	0.0113	0.2984	1
Brugia malayi	sulfakinin receptor protein	0.0237	0.7582	1
Toxoplasma gondii	cathepsin B	0.0064	0.117	0.2563
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0222	0.0293
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0113	0.2984	0.3935
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0545	0.0719
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0055	0.0829	0.1618
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0036	0.0119	0.0157
Onchocerca volvulus		0.0113	0.2984	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0113	0.2984	0.653
Onchocerca volvulus		0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0077	0.1643	0.4502
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0119	0.0157
Entamoeba histolytica	cysteine proteinase, putative	0.0113	0.2984	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.006	0.1017	0.2047
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1643	0.2167
Plasmodium vivax	plasmepsin IV, putative	0.0048	0.0545	0.1486
Plasmodium vivax	vivapain-1	0.006	0.1017	0.3134
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0064	0.117	0.2563
Echinococcus granulosus	cathepsin L cysteine protease	0.006	0.1017	0.0499
Trypanosoma cruzi	cysteine peptidase, putative	0.0113	0.2984	0.653
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Onchocerca volvulus		0.0113	0.2984	1
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0055	0.0829	0.062
Echinococcus multilocularis	cathepsin L cysteine protease	0.0113	0.2984	0.2824
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0064	0.117	0.2395
Leishmania major	cathepsin L-like protease	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like precursor	0.0077	0.1643	0.2042
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Brugia malayi	Cathepsin L-like precursor	0.0077	0.1643	0.2042
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0064	0.117	0.0777
Echinococcus multilocularis	cathepsin L cysteine protease	0.0113	0.2984	0.2824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0113	0.2984	1
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1643	0.2167
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.006	0.1017	0.2047
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0077	0.1643	0.3473
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0302	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0077	0.1643	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0113	0.2984	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0113	0.2984	1

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	< 25 mg kg-1	Analgesic activity of intraperitoneally administered compound was determined by the inflamed rat-paw reversal of abnormal (three-legged) gait; 4/4 Active	ChEMBL.	6325691
Inhibition (functional)	= 13 %	Ability to displace [3H]-naloxone binding from homogenates of rat brain minus cerebellum at the concentration of 0.78 microM	ChEMBL.	6325691
Inhibition (functional)	= 62 %	Ability to displace [3H]-naloxone binding from homeganates of rat brain minus cerebellum at the concentration of 25 uM	ChEMBL.	6325691

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: CHEMBL160532

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 271148