TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.313 | Formula: C16H17F3N2O3
H donors: 0 H acceptors: 2 LogP: 3.84 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)N(C(=O)COc1onc(c1C)C(F)(F)F)C
InChi: 1S/C16H17F3N2O3/c1-4-11-5-7-12(8-6-11)21(3)13(22)9-23-15-10(2)14(20-24-15)16(17,18)19/h5-8H,4,9H2,1-3H3
InChiKey: DBXADQSNQHLGAJ-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
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1528	0.2567
Onchocerca volvulus	Tyrosine kinase homolog	0.0343	0.216	0.1919
Brugia malayi	Plexin repeat family protein	0.064	0.4823	0.813
Schistosoma mansoni	fibrocystin l	0.012	0.015	0.031
Schistosoma mansoni	hypothetical protein	0.012	0.015	0.031
Echinococcus granulosus	roundabout 2	0.0113	0.0086	0.0086
Schistosoma mansoni	tyrosine kinase	0.0169	0.0589	0.1222
Schistosoma mansoni	hypothetical protein	0.0367	0.237	0.4914
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0323	0.198	0.4105
Brugia malayi	Protein kinase domain containing protein	0.0142	0.035	0.0349
Schistosoma mansoni	semaphorin 5-related	0.0273	0.1528	0.3168
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1528	0.2567
Echinococcus granulosus	biogenic amine 5HT receptor	0.0479	0.3381	0.3381
Echinococcus multilocularis	exocyst complex component 2	0.012	0.015	0.0196
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Echinococcus granulosus	semaphorin 1A	0.0273	0.1528	0.1528
Echinococcus granulosus	exocyst complex component 2	0.012	0.015	0.015
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0479	0.3381	0.4433
Echinococcus multilocularis	roundabout 2	0.0113	0.0086	0.0113
Schistosoma mansoni	biogenic amine (5HT) receptor	0.017	0.0606	0.1257
Echinococcus multilocularis	transcription factor collier	0.012	0.015	0.0196
Schistosoma mansoni	hypothetical protein	0.012	0.015	0.031
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0086	0.0115
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0105	0.0019	0.0019
Echinococcus multilocularis	epidermal growth factor receptor	0.0358	0.2289	0.3
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0142	0.035	0.035
Schistosoma mansoni	tyrosine kinase	0.0169	0.0589	0.1222
Echinococcus multilocularis	serotonin receptor	0.017	0.0606	0.0795
Loa Loa (eye worm)	hypothetical protein	0.012	0.015	0.0223
Echinococcus granulosus	translocator protein	0.0323	0.198	0.198
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1528	0.2567
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0447	0.3088	0.5113
Entamoeba histolytica	protein kinase domain containing protein	0.0162	0.0531	1
Echinococcus granulosus	epidermal growth factor receptor	0.0358	0.2289	0.2289
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0142	0.035	0.0459
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.015	0.5
Onchocerca volvulus		0.0323	0.198	0.1372
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Schistosoma mansoni	tyrosine kinase	0.0211	0.0971	0.2013
Brugia malayi	hypothetical protein	0.0131	0.0248	0.0171
Echinococcus granulosus	insulin receptor	0.0142	0.035	0.035
Brugia malayi	Furin-like cysteine rich region family protein	0.0358	0.2289	0.3721
Echinococcus multilocularis	epidermal growth factor receptor	0.0211	0.0971	0.1272
Schistosoma mansoni	hypothetical protein	0.0199	0.0862	0.1788
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0952	0.7627	1
Loa Loa (eye worm)	hypothetical protein	0.017	0.0606	0.0999
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1528	0.2567
Loa Loa (eye worm)	sema domain-containing protein	0.0273	0.1528	0.2567
Echinococcus multilocularis	semaphorin 5B	0.0273	0.1528	0.2003
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1528	0.2567
Brugia malayi	hypothetical protein	0.0273	0.1528	0.2398
Echinococcus multilocularis	translocator protein	0.0323	0.198	0.2596
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0441	0.3036	0.5022
Echinococcus multilocularis	serotonin receptor	0.017	0.0606	0.0795
Onchocerca volvulus		0.0293	0.1711	0.0556
Echinococcus multilocularis	hypothetical protein	0.0273	0.1528	0.2003
Loa Loa (eye worm)	hypothetical protein	0.064	0.4823	0.8172
Brugia malayi	Sema domain containing protein	0.0273	0.1528	0.2398
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0323	0.198	0.3336
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0447	0.3088	0.5
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0447	0.3088	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.015	0.0223
Echinococcus multilocularis	insulin receptor	0.0142	0.035	0.0459
Brugia malayi	Pax transcription factor protein 2	0.0283	0.1613	0.2547
Schistosoma mansoni	tyrosine kinase	0.0211	0.0971	0.2013
Loa Loa (eye worm)	hypothetical protein	0.012	0.015	0.0223
Loa Loa (eye worm)	plexin A	0.076	0.5897	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.027	0.1501	0.5
Onchocerca volvulus		0.064	0.4823	1
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0273	0.1528	0.2567
Schistosoma mansoni	tyrosine kinase	0.0169	0.0589	0.1222
Echinococcus granulosus	plexin a4	0.076	0.5897	0.5897
Schistosoma mansoni	tyrosine kinase	0.0358	0.2289	0.4745
Schistosoma mansoni	hypothetical protein	0.0273	0.1528	0.3168
Loa Loa (eye worm)	TK/INSR protein kinase	0.0142	0.035	0.0564
Schistosoma mansoni	tyrosine kinase	0.0142	0.035	0.0726
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0211	0.0971	0.0971
Brugia malayi	plexin A	0.076	0.5897	1
Echinococcus granulosus	epidermal growth factor receptor	0.0211	0.0971	0.0971
Onchocerca volvulus		0.0283	0.1613	0.026
Brugia malayi	hypothetical protein	0.0273	0.1528	0.2398
Onchocerca volvulus		0.0323	0.198	0.1372
Echinococcus multilocularis	geminin	0.0199	0.0862	0.113
Schistosoma mansoni	hypothetical protein	0.0199	0.0862	0.1788
Schistosoma mansoni	hypothetical protein	0.0273	0.1528	0.3168
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0358	0.2289	0.3861
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0441	0.3036	0.5133
Brugia malayi	Sema domain containing protein	0.0273	0.1528	0.2398
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0086	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0323	0.198	0.3336
Loa Loa (eye worm)	hypothetical protein	0.012	0.015	0.0223
Schistosoma mansoni	plexin	0.064	0.4823	1
Onchocerca volvulus		0.0323	0.198	0.1372
Loa Loa (eye worm)	sema domain-containing protein	0.0273	0.1528	0.2567
Leishmania major	C-8 sterol isomerase-like protein	0.0447	0.3088	0.5
Echinococcus multilocularis	plexin a4	0.076	0.5897	0.7732
Schistosoma mansoni	tyrosine kinase	0.0142	0.035	0.0726
Entamoeba histolytica	tyrosin kinase, putative	0.0162	0.0531	1
Echinococcus granulosus	geminin	0.0199	0.0862	0.0862
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0479	0.3381	0.7011
Loa Loa (eye worm)	hypothetical protein	0.0367	0.237	0.4
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.012	0.015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0323	0.198	0.3336
Echinococcus granulosus	biogenic amine 5HT receptor	0.017	0.0606	0.0606
Echinococcus granulosus	semaphorin 5B	0.0273	0.1528	0.1528
Loa Loa (eye worm)	hypothetical protein	0.0447	0.3088	0.5221
Schistosoma mansoni	plexin	0.0367	0.237	0.4914
Brugia malayi	TspO/MBR family protein	0.0323	0.198	0.3184
Loa Loa (eye worm)	hypothetical protein	0.017	0.0606	0.0999
Loa Loa (eye worm)	hypothetical protein	0.0323	0.198	0.3336
Loa Loa (eye worm)	hypothetical protein	0.0228	0.1126	0.1884
Echinococcus granulosus	transcription factor collier	0.012	0.015	0.015
Trichomonas vaginalis	conserved hypothetical protein	0.012	0.015	0.5
Loa Loa (eye worm)	pax transcription factor protein 2	0.0283	0.1613	0.2713
Schistosoma mansoni	cell adhesion molecule	0.0105	0.0019	0.0039
Onchocerca volvulus		0.0323	0.198	0.1372
Mycobacterium ulcerans	tryptophan-rich sensory protein	0.0323	0.198	0.5

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: CHEMBL2287935

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 1805762