TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.284 | Formula: C18H21Cl2N3O2
H donors: 1 H acceptors: 1 LogP: 3.65 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CC[C@@]2([C@@H](C1)[C@@H](C(=C(O2)N)C#N)c1ccc(cc1Cl)Cl)OC
InChi: 1S/C18H21Cl2N3O2/c1-3-23-7-6-18(24-2)14(10-23)16(13(9-21)17(22)25-18)12-5-4-11(19)8-15(12)20/h4-5,8,14,16H,3,6-7,10,22H2,1-2H3/t14-,16+,18+/m0/s1
InChiKey: LTQWMPSEOGKKTC-YXJHDRRASA-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, cathepsin L-like cysteine peptidase	0.0019	0.065	0.1018
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.065	0.3182
Loa Loa (eye worm)	ctsf protein	0.0026	0.1214	0.1214
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0026	0.1214	0.1214
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0452	0.0452
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.1214	0.1214
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1214	0.1214
Loa Loa (eye worm)	hypothetical protein	0.0019	0.065	0.065
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.065	0.065
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0452	0.0452
Brugia malayi	Cathepsin L-like precursor	0.0019	0.065	0.065
Onchocerca volvulus		0.0019	0.065	0.5353
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0026	0.1214	0.1214
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1214	0.1214
Schistosoma mansoni	hypothetical protein	0.0016	0.0452	0.0452
Loa Loa (eye worm)	cathepsin B	0.0049	0.297	0.297
Loa Loa (eye worm)	cysteine protease	0.0026	0.1214	0.1214
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0016	0.0386	0.0386
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0452	0.0452
Echinococcus granulosus	cathepsin l1	0.0026	0.1214	0.1214
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Loa Loa (eye worm)	fibroinase	0.0026	0.1214	0.1214
Plasmodium vivax	vivapain-2	0.0026	0.1214	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1214	0.1214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Schistosoma mansoni	hypothetical protein	0.0016	0.0452	0.0452
Loa Loa (eye worm)	hypothetical protein	0.0019	0.065	0.065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus granulosus	cathepsin b	0.014	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus granulosus	cathepsin l1	0.0019	0.065	0.065
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.1214	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Onchocerca volvulus		0.0026	0.1214	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.065	0.065
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.3173	0.3173
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1214	0.086
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.014	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0452	0.0452
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0452	0.0452
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0026	0.1214	0.1214
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	1	1
Plasmodium vivax	vivapain-2	0.0026	0.1214	1
Giardia lamblia	Cathepsin B precursor	0.0049	0.297	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0026	0.1214	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1214	0.086
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Loa Loa (eye worm)	hypothetical protein	0.0019	0.065	0.065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.1214	0.1214
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0016	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1214	0.1214
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.1914	0.1914
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1214	0.1214
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0049	0.297	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.1214	0.3201
Onchocerca volvulus	Cathepsin L homolog	0.0026	0.1214	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0452	0.0452
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0026	0.1214	0.3201
Brugia malayi	cathepsin L-like precursor	0.0019	0.065	0.065
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus multilocularis	cysteine protease	0.0026	0.1214	0.1214
Schistosoma mansoni	cathepsin F (C01 family)	0.0026	0.1214	0.1214
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.3173	0.3173
Loa Loa (eye worm)	hypothetical protein	0.014	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.014	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Trypanosoma cruzi	cruzipain precursor, putative	0.0026	0.1214	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0386	0.0386
Schistosoma mansoni	hypothetical protein	0.0035	0.1914	0.1914
Giardia lamblia	Cathepsin B precursor	0.0049	0.297	0.5
Giardia lamblia	Cathepsin B precursor	0.0049	0.297	0.5
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1214	0.1214
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0386	0.0386
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0049	0.297	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0049	0.297	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.1214	1
Onchocerca volvulus	Cathepsin F homolog	0.0026	0.1214	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0452	0.0452
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus granulosus	cathepsin b	0.014	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Echinococcus multilocularis	cathepsin L	0.0016	0.0386	0.0386
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0026	0.1214	0.1214
Onchocerca volvulus		0.0026	0.1214	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Echinococcus granulosus	cathepsin L	0.0016	0.0386	0.0386
Onchocerca volvulus		0.0026	0.1214	1
Onchocerca volvulus		0.0026	0.1214	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.3173	0.3173
Brugia malayi	Papain family cysteine protease containing protein	0.0026	0.1214	0.1214
Onchocerca volvulus		0.0026	0.1214	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0026	0.1214	0.1214
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0452	0.0452
Schistosoma mansoni	hypothetical protein	0.0016	0.0452	0.0452
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.014	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.1214	0.1214
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0026	0.1214	1
Echinococcus granulosus	GPCR family 2	0.0016	0.0452	0.0452
Echinococcus multilocularis	cysteine protease	0.0026	0.1214	0.1214
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0016	0.0386	0.0386
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1214	0.086
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Entamoeba histolytica	cysteine proteinase, putative	0.0026	0.1214	1
Onchocerca volvulus		0.0026	0.1214	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0019	0.065	0.0274
Trypanosoma cruzi	cysteine peptidase, putative	0.0026	0.1214	0.086
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1914	0.1914
Echinococcus multilocularis	cathepsin b	0.014	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Echinococcus multilocularis	cathepsin b	0.014	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.065	0.1018
Echinococcus multilocularis	cathepsin L cysteine protease	0.0026	0.1214	0.1214
Onchocerca volvulus		0.0026	0.1214	1
Brugia malayi	Cathepsin L-like precursor	0.0026	0.1214	0.1214
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0026	0.1214	0.3201
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0019	0.065	0.065
Toxoplasma gondii	cathepsin B	0.0049	0.297	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0016	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0452	0.0452
Schistosoma mansoni	hypothetical protein	0.0016	0.0452	0.0452
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.3173	0.3173
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0026	0.1214	0.3201
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0026	0.1214	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0049	0.297	0.2688
Entamoeba histolytica	cysteine protease, putative	0.0026	0.1214	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0026	0.1214	0.3201
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0049	0.297	0.297
Echinococcus granulosus	cysteine protease	0.0016	0.0386	0.0386

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: CHEMBL3356318

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 944334