TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.281 | Formula: C16H12F3N3O
H donors: 3 H acceptors: 2 LogP: 3.58 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1O)Nc1ccnc2c1cc(cc2)C(F)(F)F
InChi: 1S/C16H12F3N3O/c17-16(18,19)9-1-4-13-11(7-9)14(5-6-21-13)22-10-2-3-12(20)15(23)8-10/h1-8,23H,20H2,(H,21,22)
InChiKey: PETHOYXUOUDMQD-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
Onchocerca volvulus		0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2929	0.2929
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2929	0.2929
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0371	0.1267
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.0371	0.0371
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.0371	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0315	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Loa Loa (eye worm)	fibroinase	0.0019	0.0371	0.1267
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Echinococcus multilocularis	cysteine protease	0.0019	0.0371	0.0057
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0371	0.1267
Echinococcus granulosus	tar DNA binding protein	0.0063	0.2929	0.2929
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0073	0.3525	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Onchocerca volvulus		0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Loa Loa (eye worm)	cysteine protease	0.0019	0.0371	0.1267
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0371	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.0371	0.1267
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.0371	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0067	0.3154	0.8844
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0371	0.0371
Plasmodium vivax	vivapain-2	0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Leishmania major	cathepsin L-like protease	0.0019	0.0371	0.0173
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Leishmania major	cathepsin L-like protease	0.0019	0.0371	0.0173
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2929	0.2929
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2929	0.2929
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.2041	0.6969
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0315	0.5
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0371	0.1267
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0371	0.1267
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.2041	0.2041
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.3525	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0371	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0315	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0371	1
Echinococcus multilocularis	geminin	0.0184	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.0371	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.0371	0.0371
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0371	1
Echinococcus granulosus	cathepsin l1	0.0019	0.0371	0.0371
Schistosoma mansoni	hypothetical protein	0.0184	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0371	0.0371
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0315	0.1077
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Leishmania major	cathepsin L-like protease	0.0073	0.3525	1
Loa Loa (eye worm)	ctsf protein	0.0019	0.0371	0.1267
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.0371	0.1267
Leishmania major	cathepsin L-like protease	0.0019	0.0371	0.0173
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2929	0.2929
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0315	0.85
Toxoplasma gondii	cathepsin CPL	0.0019	0.0371	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0315	0.0315
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0315	0.1077
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0371	0.0057
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.2041	0.2041
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.0371	1
Onchocerca volvulus		0.0019	0.0371	1
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.2929	0.2699
Leishmania major	cysteine peptidase A (CPA)	0.0019	0.0371	0.0173
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Onchocerca volvulus		0.0019	0.0371	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.3525	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0057	0.261	0.7148
Leishmania major	cathepsin L-like protease	0.0019	0.0371	0.0173
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0315	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.2041	0.2041
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0371	0.0057
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Leishmania major	cathepsin L-like protease	0.0073	0.3525	1
Onchocerca volvulus		0.0019	0.0371	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0371	0.1267
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0315	0.85
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.2929	1
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.2929	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.0371	0.0057
Echinococcus multilocularis	cysteine protease	0.0019	0.0371	0.0057
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.2041	0.1782
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.2041	0.2041
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0371	0.1267
Leishmania major	cathepsin L-like protease	0.0073	0.3525	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0315	0.0315
Onchocerca volvulus		0.0019	0.0371	1
Loa Loa (eye worm)	RNA binding protein	0.0063	0.2929	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.0371	0.0057
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0315	0.5
Brugia malayi	TAR-binding protein	0.0063	0.2929	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0371	0.0173
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0371	1
Brugia malayi	RNA binding protein	0.0063	0.2929	1
Onchocerca volvulus		0.0019	0.0371	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0371	1
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0371	1
Leishmania major	cathepsin L-like protease	0.0019	0.0371	0.0173
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.2929	1
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0371	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.3525	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0018	0.0315	0.85
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.2041	0.6969
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0371	1
Plasmodium vivax	vivapain-2	0.0019	0.0371	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0371	0.1267
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.2041	0.1782
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0315	0.0315
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.2041	0.2041
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.3525	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0371	0.1267

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: CHEMBL530885

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 1026610