TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 295.427 | Formula: C16H32F3N
H donors: 1 H acceptors: 0 LogP: 7.58 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCCCCCCNCC(F)(F)F
InChi: 1S/C16H32F3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16(17,18)19/h20H,2-15H2,1H3
InChiKey: CIPUUMBEQLVXEZ-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
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0176	0.2807	0.3227
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0084	0.0966	1
Brugia malayi	RNA recognition motif domain containing protein	0.0069	0.0672	0.0772
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Onchocerca volvulus		0.0068	0.0641	0.0238
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0471	0.87	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Loa Loa (eye worm)	hypothetical protein	0.0275	0.4788	0.5504
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0084	0.0966	0.0997
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0084	0.0966	0.0577
Echinococcus granulosus	survival motor neuron protein 1	0.0275	0.4788	0.5257
Brugia malayi	Pre-SET motif family protein	0.0068	0.0641	0.0737
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0084	0.0966	1
Schistosoma mansoni	peptidase	0.0084	0.0966	0.1068
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0672	0.0743
Brugia malayi	Carboxypeptidase A2 precursor	0.0084	0.0966	0.111
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0176	0.2807	0.3227
Onchocerca volvulus		0.0084	0.0966	0.0577
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.0592	0.0579
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0084	0.0966	1
Entamoeba histolytica	hypothetical protein	0.0189	0.3069	1
Onchocerca volvulus		0.0488	0.9045	0.9004
Echinococcus multilocularis	tar DNA binding protein	0.0069	0.0672	0.0669
Echinococcus multilocularis	geminin	0.0376	0.6804	0.7503
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0084	0.0966	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0084	0.0966	0.111
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0084	0.0966	0.5
Echinococcus granulosus	tar DNA binding protein	0.0069	0.0672	0.0669
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0672	0.0743
Schistosoma mansoni	hypothetical protein	0.0376	0.6804	0.7523
Echinococcus granulosus	subfamily M14A unassigned peptidase	0.0488	0.9045	1
Schistosoma mansoni	alpha-glucosidase	0.0152	0.2318	0.2562
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0084	0.0966	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0068	0.0641	0.0709
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0084	0.0966	0.0997
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0328	0.0377
Echinococcus granulosus	histone lysine methyltransferase setb	0.0068	0.0641	0.0635
Echinococcus multilocularis	survival motor neuron protein 1	0.0275	0.4788	0.5257
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0084	0.0966	0.0997
Loa Loa (eye worm)	TAR-binding protein	0.0069	0.0672	0.0772
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0084	0.0966	1
Trichomonas vaginalis	set domain proteins, putative	0.0536	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.0413	0.0475
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0068	0.0641	0.0635
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0084	0.0966	1
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0488	0.9045	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0672	0.0743
Loa Loa (eye worm)	zinc carboxypeptidase	0.0084	0.0966	0.111
Onchocerca volvulus		0.0488	0.9045	0.9004
Onchocerca volvulus	Carboxypeptidase D homolog	0.0084	0.0966	0.0577
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0084	0.0966	0.0997
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0084	0.0966	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0265	0.4584	0.5269
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0084	0.0966	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0072	0.0083
Schistosoma mansoni	peptidase	0.0084	0.0966	0.1068
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0328	0.0377
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0068	0.0641	0.0635
Brugia malayi	MH2 domain containing protein	0.0265	0.4584	0.5269
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Echinococcus multilocularis		0.0084	0.0966	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0405	0.737	0.8472
Schistosoma mansoni	hypothetical protein	0.0084	0.0966	0.1068
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Entamoeba histolytica	hypothetical protein	0.0189	0.3069	1
Schistosoma mansoni	transcription factor LCR-F1	0.0189	0.3069	0.3393
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0068	0.0641	0.6368
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Echinococcus granulosus	lysosomal alpha glucosidase	0.0176	0.2807	0.3048
Brugia malayi	Pre-SET motif family protein	0.0471	0.87	1
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0084	0.0966	0.0997
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0084	0.0966	0.5
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0488	0.9045	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Onchocerca volvulus		0.0084	0.0966	0.0577
Onchocerca volvulus		0.0488	0.9045	0.9004
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0176	0.2807	0.3048
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Loa Loa (eye worm)	zinc carboxypeptidase	0.0084	0.0966	0.111
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0189	0.3069	0.334
Loa Loa (eye worm)	transcription factor SMAD2	0.0265	0.4584	0.5269
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0641	0.0709
Brugia malayi	RNA binding protein	0.0069	0.0672	0.0772
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Schistosoma mansoni	alpha glucosidase	0.0039	0.0072	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0328	0.0377
Echinococcus granulosus	geminin	0.0376	0.6804	0.7503
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0084	0.0966	0.5
Toxoplasma gondii	flagellar/basal body protein	0.0084	0.0966	1
Brugia malayi	TAR-binding protein	0.0069	0.0672	0.0772
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0641	0.0737
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0084	0.0966	1
Entamoeba histolytica	hypothetical protein	0.0189	0.3069	1
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0672	0.0743
Schistosoma mansoni	protease m14 carboxypeptidase	0.0084	0.0966	0.1068
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0084	0.0966	1
Schistosoma mansoni	hypothetical protein	0.0189	0.3069	0.3393
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Trypanosoma brucei	Carboxypeptidase-like protein	0.0084	0.0966	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0084	0.0966	0.111
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0084	0.0966	1
Schistosoma mansoni	survival motor neuron protein	0.0056	0.0413	0.0457
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0084	0.0966	0.1068
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0641	0.0709
Schistosoma mansoni	peptidase	0.0084	0.0966	0.1068
Loa Loa (eye worm)	RNA binding protein	0.0069	0.0672	0.0772
Schistosoma mansoni	alpha-glucosidase	0.0152	0.2318	0.2562
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0084	0.0966	1
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0488	0.9045	0.9004
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0328	0.0377
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.0966	1
Brugia malayi	hypothetical protein	0.0189	0.3069	0.3527
Schistosoma mansoni	tar DNA-binding protein	0.0069	0.0672	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0189	0.3069	0.334
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0084	0.0966	0.0901
Onchocerca volvulus		0.0488	0.9045	0.9004
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.0641	0.0709
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Onchocerca volvulus		0.0102	0.1325	0.0951
Entamoeba histolytica	hypothetical protein	0.0189	0.3069	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0084	0.0966	0.1068
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0084	0.0966	0.1068
Brugia malayi	hypothetical protein	0.0275	0.4788	0.5504
Schistosoma mansoni	hypothetical protein	0.0056	0.0413	0.0457
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0966	0.111
Brugia malayi	Zinc carboxypeptidase family protein	0.0084	0.0966	0.111
Schistosoma mansoni	hypothetical protein	0.0376	0.6804	0.7523
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0069	0.0672	0.0772
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0176	0.2807	0.3048
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0072	0.0083

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: CHEMBL3246101

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 1891564