TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 263.687 | Formula: C12H13ClF3N
H donors: 1 H acceptors: 0 LogP: 3.4 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1cccc(c1)C12CNCC2C1)(F)F.Cl
InChi: 1S/C12H12F3N.ClH/c13-12(14,15)9-3-1-2-8(4-9)11-5-10(11)6-16-7-11;/h1-4,10,16H,5-7H2;1H
InChiKey: AWROSGAAGPSJOW-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
Echinococcus granulosus	geminin	0.0186	0.4829	0.68
Brugia malayi	Latrophilin receptor protein 2	0.0054	0.0767	0.1082
Loa Loa (eye worm)	cysteine protease	0.0044	0.0471	0.0665
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Schistosoma mansoni	hypothetical protein	0.0054	0.0767	0.1553
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Brugia malayi	hypothetical protein	0.026	0.7092	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0044	0.0471	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.003	0.002	0.0029
Onchocerca volvulus		0.0044	0.0471	0.1287
Echinococcus multilocularis	tar DNA binding protein	0.0144	0.3531	0.4621
Brugia malayi	cathepsin L-like precursor	0.003	0.002	0.0029
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0044	0.0471	0.0638
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.3531	0.73
Onchocerca volvulus		0.0053	0.0736	0.2041
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0471	0.0471
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Onchocerca volvulus		0.0044	0.0471	0.1287
Toxoplasma gondii	cathepsin CPL	0.0044	0.0471	0.5456
Echinococcus granulosus	cathepsin l1	0.0044	0.0471	0.0638
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0736	0.1488
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0044	0.0471	1
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0168	0.4262	0.4262
Loa Loa (eye worm)	hypothetical protein	0.003	0.002	0.0029
Echinococcus multilocularis	geminin	0.0186	0.4829	0.6582
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0171	0.4354	0.614
Onchocerca volvulus	Cathepsin F homolog	0.0044	0.0471	0.1287
Onchocerca volvulus		0.0044	0.0471	0.1287
Onchocerca volvulus		0.0044	0.0471	0.1287
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0471	0.0471
Brugia malayi	TAR-binding protein	0.0144	0.3531	0.4979
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Brugia malayi	Cathepsin L-like precursor	0.003	0.002	0.0029
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0767	0.1553
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0061	0.0974	0.0974
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0471	0.0665
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Schistosoma mansoni	hypothetical protein	0.0186	0.4829	1
Onchocerca volvulus	Huntingtin homolog	0.0144	0.3526	1
Onchocerca volvulus	Huntingtin homolog	0.0144	0.3526	1
Brugia malayi	Papain family cysteine protease containing protein	0.0044	0.0471	0.0665
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0054	0.0767	0.0447
Loa Loa (eye worm)	TAR-binding protein	0.0144	0.3531	0.4979
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0044	0.0471	0.0638
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Leishmania major	cysteine peptidase A (CPA)	0.0044	0.0471	0.0471
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0355	1	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0736	0.1488
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0044	0.0471	0.0665
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Echinococcus granulosus	tar DNA binding protein	0.0144	0.3531	0.4964
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0471	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0767	0.1082
Onchocerca volvulus		0.0044	0.0471	0.1287
Onchocerca volvulus		0.0044	0.0471	0.1287
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0355	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0736	0.1037
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0168	0.4262	0.4262
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.3531	0.73
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0187	0.4845	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0171	0.4354	0.614
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0471	0.0665
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.005	0.0639	0.0639
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0471	0.0665
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.3531	0.73
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.005	0.0639	0.0639
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0054	0.0767	0.0447
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0471	0.0938
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0044	0.0471	1
Schistosoma mansoni	hypothetical protein	0.0117	0.2694	0.556
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0054	0.0767	0.1082
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.3531	0.73
Loa Loa (eye worm)	hypothetical protein	0.003	0.002	0.0029
Onchocerca volvulus	Cathepsin L homolog	0.0044	0.0471	0.1287
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.4354	0.614
Plasmodium vivax	vivapain-2	0.0044	0.0471	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0471	0.0471
Echinococcus granulosus	GPCR family 2	0.0054	0.0767	0.1056
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Brugia malayi	RNA binding protein	0.0144	0.3531	0.4979
Loa Loa (eye worm)	RNA binding protein	0.0144	0.3531	0.4979
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0144	0.3531	0.4979
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.002	0.0029
Echinococcus granulosus	survival motor neuron protein 1	0.026	0.7092	1
Plasmodium vivax	vivapain-2	0.0044	0.0471	1
Brugia malayi	Cathepsin L-like precursor	0.003	0.002	0.0029
Mycobacterium ulcerans	hypothetical protein	0.0187	0.4845	0.5
Schistosoma mansoni	hypothetical protein	0.0054	0.0767	0.1553
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0054	0.0767	0.1056
Onchocerca volvulus		0.0044	0.0471	0.1287
Brugia malayi	hypothetical protein	0.0144	0.3526	0.4971
Schistosoma mansoni	hypothetical protein	0.0186	0.4829	1
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0471	0.0665
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0044	0.0471	0.0665
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0471	0.0665
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0639	0.0639
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0054	0.0767	0.1082
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0471	0.0665
Brugia malayi	RNA recognition motif domain containing protein	0.0144	0.3531	0.4979
Schistosoma mansoni	cathepsin F (C01 family)	0.0044	0.0471	0.0938
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0044	0.0471	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0171	0.4354	0.614
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0168	0.4262	0.4262
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0044	0.0471	1
Echinococcus multilocularis	GPCR, family 2	0.0054	0.0767	0.0447
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Onchocerca volvulus	Cathepsin L homolog	0.0044	0.0471	0.1287
Entamoeba histolytica	cysteine protease, putative	0.0044	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.3526	0.4971
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.005	0.0639	0.0639
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Loa Loa (eye worm)	hypothetical protein	0.0144	0.3526	0.4971
Schistosoma mansoni	tar DNA-binding protein	0.0144	0.3531	0.73
Schistosoma mansoni	hypothetical protein	0.0054	0.0767	0.1553
Loa Loa (eye worm)	hypothetical protein	0.0117	0.2694	0.3799
Loa Loa (eye worm)	ctsf protein	0.0044	0.0471	0.0665
Echinococcus multilocularis	survival motor neuron protein 1	0.026	0.7092	1
Brugia malayi	Cathepsin L-like precursor	0.0044	0.0471	0.0665
Loa Loa (eye worm)	fibroinase	0.0044	0.0471	0.0665
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.003	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.026	0.7092	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0044	0.0471	0.0471
Brugia malayi	latrophilin 2 splice variant baaae	0.0117	0.2694	0.3799
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0054	0.0767	0.1056
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0044	0.0471	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0044	0.0471	0.0471
Toxoplasma gondii	hypothetical protein	0.0057	0.0864	1
Entamoeba histolytica	cysteine proteinase, putative	0.0044	0.0471	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0044	0.0471	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0044	0.0471	0.0471
Leishmania major	cathepsin L-like protease	0.0044	0.0471	0.0471

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 29 mg kg-1	Analgesic activity was measured using mouse anti-writhing method expressed as ED50 (po)	ChEMBL.	7241504

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: CHEMBL555378

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 1044134