TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.439 | Formula: C19H28F3N3O3
H donors: 1 H acceptors: 3 LogP: 0.2 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(F)(F)F.CCn1nc2c(c1)C(COCC1CC1)CN(C2)CC1CC1
InChi: 1S/C17H27N3O.C2HF3O2/c1-2-20-9-16-15(12-21-11-14-5-6-14)8-19(7-13-3-4-13)10-17(16)18-20;3-2(4,5)1(6)7/h9,13-15H,2-8,10-12H2,1H3;(H,6,7)
InChiKey: IPJAIUNEVAMGOK-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	1	1
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.002	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Schistosoma mansoni	neurotransmitter gated ion channel	0.0023	0.0482	0.0482
Brugia malayi	follicle stimulating hormone receptor	0.0088	0.2964	0.8051
Brugia malayi	acetyltransferase, GNAT family protein	0.0055	0.1709	0.4641
Onchocerca volvulus		0.0075	0.2455	0.6669
Echinococcus multilocularis	glycine receptor subunit beta	0.0042	0.1229	0.1229
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0064	0.2038	0.5
Onchocerca volvulus		0.0042	0.1229	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0094	0.3175	0.3175
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0357	0.0969
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0054	0.165	0.165
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Echinococcus granulosus	glycine receptor subunit beta	0.0042	0.1229	0.1229
Onchocerca volvulus		0.0075	0.2455	0.6669
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0045	0.1317	0.1317
Onchocerca volvulus		0.0042	0.1229	0.3339
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0042	0.1229	0.3339
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0042	0.1229	0.1229
Echinococcus granulosus	glycine receptor subunit beta	0.0042	0.1229	0.1229
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0042	0.1229	0.1229
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0146	0.5163	1
Entamoeba histolytica	hypothetical protein	0.0041	0.1189	0.2034
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.0482	0.1309
Onchocerca volvulus		0.0023	0.0482	0.1309
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Schistosoma mansoni	neurotransmitter gated ion channel	0.002	0.0357	0.0357
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.1229	0.3339
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.1229	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0065	0.2075	0.2075
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.002	0.0357	0.0969
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0042	0.1229	0.3339
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0023	0.0482	0.1309
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0055	0.1709	0.1709
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0016	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Brugia malayi	Cation transporter family protein	0.0042	0.1229	0.3339
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Schistosoma mansoni	hypothetical protein	0.0071	0.2316	0.2316
Brugia malayi	excitatory GABA receptor EXP-1A	0.0042	0.1229	0.3339
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.002	0.0357	0.0357
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0042	0.1229	0.1229
Onchocerca volvulus		0.002	0.0357	0.0969
Echinococcus granulosus	geminin	0.0071	0.2316	0.2316
Onchocerca volvulus		0.002	0.0357	0.0969
Loa Loa (eye worm)	LGC-31 protein	0.0042	0.1229	0.1229
Loa Loa (eye worm)	acetyltransferase	0.0055	0.1709	0.1709
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2455	0.2455
Mycobacterium tuberculosis	Probable aminotransferase	0.0064	0.2038	0.5
Schistosoma mansoni	hypothetical protein	0.0273	1	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0042	0.1229	0.1229
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0055	0.1709	0.1709
Schistosoma mansoni	calcium-activated potassium channel	0.0198	0.7148	0.7148
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0064	0.2038	0.5
Onchocerca volvulus		0.0042	0.1229	0.3339
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0042	0.1229	0.3339
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.002	0.0357	0.0357
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0042	0.1229	0.1229
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0107	0.3681	0.3681
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0023	0.0482	0.1309
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0042	0.1229	0.1229
Schistosoma mansoni	acetylcholine receptor-related	0.002	0.0357	0.0357
Onchocerca volvulus	Putative nachr subunit	0.0107	0.3681	1
Echinococcus multilocularis	small conductance calcium activated potassium	0.0273	1	1
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.002	0.0357	0.0357
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0042	0.1229	0.1229
Schistosoma mansoni	calcium-activated potassium channel	0.0273	1	1
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0107	0.3681	0.3681
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0042	0.1229	0.1229
Loa Loa (eye worm)	acetylcholine receptor protein	0.002	0.0357	0.0357
Plasmodium falciparum	histone acetyltransferase GCN5	0.0015	0.0175	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0042	0.1229	0.1229
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit	0.002	0.0357	0.0357
Brugia malayi	hypothetical protein	0.002	0.0357	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2455	0.2455
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.002	0.0357	0.0969
Echinococcus multilocularis	nAChR subunit	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0075	0.2455	0.2455
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0107	0.3681	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0104	0.3582	0.3582
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0088	0.2964	0.2964
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0045	0.1317	0.1317
Loa Loa (eye worm)	GABA receptor subunit	0.0023	0.0482	0.0482
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0064	0.2038	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0042	0.1229	0.1229
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0042	0.1229	0.1229
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.002	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0075	0.2455	0.2455
Onchocerca volvulus		0.002	0.0357	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0042	0.1229	0.1229
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0042	0.1229	0.1229
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0016	0.0227	0.5
Brugia malayi	hypothetical protein	0.002	0.0357	0.0969
Echinococcus granulosus	nAChR subunit	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0042	0.1229	0.3339
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0107	0.3681	0.3681
Echinococcus granulosus	nAChR subunit	0.0023	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0041	0.1189	0.2034
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0107	0.3681	0.3681
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0357	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1708	0.1708
Brugia malayi	Cation transporter family protein	0.0042	0.1229	0.3339
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.002	0.0357	0.0357
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0042	0.1229	0.1229
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0042	0.1229	0.1229
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0042	0.1229	0.3339
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0107	0.3681	0.3681
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0016	0.0227	0.5
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Schistosoma mansoni	hypothetical protein	0.0071	0.2316	0.2316
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.1229	0.3339
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.1229	0.3339
Onchocerca volvulus		0.0075	0.2455	0.6669
Loa Loa (eye worm)	hypothetical protein	0.0107	0.3681	0.3681
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0042	0.1229	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Loa Loa (eye worm)	ACC-1 protein	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.002	0.0357	0.0969
Brugia malayi	hypothetical protein	0.002	0.0357	0.0969
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0023	0.0482	0.0482
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Schistosoma mansoni	neurotransmitter gated ion channel	0.002	0.0357	0.0357
Schistosoma mansoni	lipoxygenase	0.0031	0.0804	0.0804
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0042	0.1229	0.1229
Brugia malayi	hypothetical protein	0.002	0.0357	0.0969
Onchocerca volvulus		0.0023	0.0482	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0064	0.2038	0.5
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.002	0.0357	0.0969
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0107	0.3681	0.3681
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0023	0.0482	0.1309
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.1229	0.3339
Brugia malayi	Cation transporter family protein	0.0075	0.2455	0.6669
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Schistosoma mansoni	nAChR subunit	0.002	0.0357	0.0357
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Loa Loa (eye worm)	ACC-1 protein	0.0042	0.1229	0.1229
Schistosoma mansoni	acetylcholine receptor subunit beta	0.002	0.0357	0.0357
Schistosoma mansoni	nAChR subunit	0.0042	0.1229	0.1229
Echinococcus multilocularis	nAChR subunit	0.0023	0.0482	0.0482
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0042	0.1229	0.1229
Echinococcus multilocularis	geminin	0.0071	0.2316	0.2316
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482
Schistosoma mansoni	lipoxygenase	0.0045	0.1317	0.1317
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0016	0.0227	0.5
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Giardia lamblia	DNA repair protein RAD52	0.0146	0.5163	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0042	0.1229	0.3339
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0042	0.1229	0.3339
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0107	0.3681	0.3681
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0023	0.0482	0.0482
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.002	0.0357	0.0357
Echinococcus multilocularis	glycine receptor subunit beta	0.0042	0.1229	0.1229
Entamoeba histolytica	hypothetical protein	0.0023	0.0482	0.0615
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0042	0.1229	0.3339
Brugia malayi	hypothetical protein	0.002	0.0357	0.0969
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0042	0.1229	0.3339
Mycobacterium ulcerans	hypothetical protein	0.0064	0.2038	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0357	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0482	0.0482

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: CHEMBL3502425

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 2075437