TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 281.821 | Formula: C16H24ClNO
H donors: 2 H acceptors: 1 LogP: 4.6 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1C[C@](C)(CNc2ccccc2Cl)CC(C1)(C)C
InChi: 1S/C16H24ClNO/c1-15(2)8-12(19)9-16(3,10-15)11-18-14-7-5-4-6-13(14)17/h4-7,12,18-19H,8-11H2,1-3H3/t12-,16-/m0/s1
InChiKey: LFXSNWNYWBWWDO-LRDDRELGSA-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	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0162	0.0714	0.0858
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Echinococcus granulosus	cathepsin b	0.0339	1	1
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Echinococcus multilocularis	cathepsin b	0.0339	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0307	0.8329	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0339	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0339	1	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.3137	0.3137
Giardia lamblia	Cathepsin B precursor	0.0149	0	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0307	0.8329	0.8201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Onchocerca volvulus		0.0307	0.8329	1
Onchocerca volvulus		0.0307	0.8329	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.3137	0.3137
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Onchocerca volvulus	Cathepsin F homolog	0.0307	0.8329	1
Toxoplasma gondii	cathepsin CPL	0.0307	0.8329	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0162	0.0714	0.0714
Onchocerca volvulus		0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0162	0.0714	0.0858
Loa Loa (eye worm)	cysteine protease	0.0307	0.8329	0.8329
Brugia malayi	cathepsin L-like precursor	0.0208	0.3137	0.2609
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0307	0.8329	0.8201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Entamoeba histolytica	cysteine proteinase, putative	0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.0714	0.0858
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0307	0.8329	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0307	0.8329	0.8329
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0162	0.0714	0.0714
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0162	0.0714	0.0714
Schistosoma mansoni	cathepsin F (C01 family)	0.0307	0.8329	0.8329
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Giardia lamblia	Cathepsin B precursor	0.0149	0	0.5
Leishmania major	cysteine peptidase A (CPA)	0.0307	0.8329	1
Brugia malayi	Cathepsin L-like precursor	0.0307	0.8329	0.8201
Brugia malayi	Cathepsin L-like precursor	0.0307	0.8329	0.8201
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.8329	0.8329
Onchocerca volvulus	Cathepsin L homolog	0.0307	0.8329	1
Onchocerca volvulus		0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Onchocerca volvulus		0.0307	0.8329	1
Brugia malayi	Cathepsin L-like precursor	0.0307	0.8329	0.8201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Trypanosoma cruzi	cysteine protease, putative	0.0162	0.0714	0.0714
Plasmodium vivax	vivapain-2	0.0307	0.8329	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.8329	0.8329
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Echinococcus granulosus	cathepsin l1	0.0208	0.3137	0.2609
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Loa Loa (eye worm)	hypothetical protein	0.0208	0.3137	0.3137
Onchocerca volvulus		0.0307	0.8329	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0307	0.8329	0.8329
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0162	0.0714	0.0858
Trypanosoma cruzi	cysteine peptidase, putative	0.0162	0.0714	0.0714
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0307	0.8329	0.8201
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Loa Loa (eye worm)	fibroinase	0.0307	0.8329	0.8329
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0339	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0339	1	1
Brugia malayi	Cathepsin L-like precursor	0.0307	0.8329	0.8201
Loa Loa (eye worm)	hypothetical protein	0.0339	1	1
Loa Loa (eye worm)	hypothetical protein	0.0307	0.8329	0.8329
Brugia malayi	Papain family cysteine protease containing protein	0.0307	0.8329	0.8201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0339	1	1
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Brugia malayi	Cathepsin L-like precursor	0.0208	0.3137	0.2609
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0208	0.3137	0.2609
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.8329	0.8329
Onchocerca volvulus		0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0307	0.8329	0.8201
Trypanosoma cruzi	cruzipain precursor, putative	0.0307	0.8329	0.8329
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Echinococcus granulosus	cathepsin l1	0.0307	0.8329	0.8201
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0307	0.8329	0.8329
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0208	0.3137	0.3767
Echinococcus multilocularis	cathepsin b	0.0339	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0307	0.8329	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0162	0.0714	0.0714
Brugia malayi	Cathepsin L-like precursor	0.0307	0.8329	0.8201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0208	0.3137	0.3137
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Entamoeba histolytica	cysteine proteinase, putative	0.0208	0.3137	0.3182
Giardia lamblia	Cathepsin B precursor	0.0149	0	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0307	0.8329	0.8329
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Brugia malayi	Cathepsin L-like precursor	0.0208	0.3137	0.2609
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0208	0.3137	0.3137
Entamoeba histolytica	cysteine protease, putative	0.0307	0.8329	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0162	0.0714	0.0714
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0208	0.3137	0.3767
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0307	0.8329	1
Onchocerca volvulus	Cathepsin L homolog	0.0307	0.8329	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0162	0.0714	0.0714
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0307	0.8329	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0307	0.8329	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0307	0.8329	0.8201
Echinococcus multilocularis	cysteine protease	0.0307	0.8329	0.8201
Echinococcus multilocularis	cysteine protease	0.0307	0.8329	0.8201
Echinococcus granulosus	cathepsin b	0.0339	1	1
Loa Loa (eye worm)	ctsf protein	0.0307	0.8329	0.8329
Plasmodium vivax	vivapain-2	0.0307	0.8329	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0307	0.8329	0.8201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0307	0.8329	1
Brugia malayi	Cathepsin L-like precursor	0.0307	0.8329	0.8201
Leishmania major	cathepsin L-like protease	0.0307	0.8329	1

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: CHEMBL2011765

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 1633137