TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 583.908 | Formula: C24H24ClF6N3O5
H donors: 2 H acceptors: 6 LogP: 2.76 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCN1CCC2(CC1)CN(c1c2cc(Cl)cc1)C(=O)c1cccnc1
InChi: 1S/C20H22ClN3O.2C2HF3O2/c1-2-23-10-7-20(8-11-23)14-24(18-6-5-16(21)12-17(18)20)19(25)15-4-3-9-22-13-15;2*3-2(4,5)1(6)7/h3-6,9,12-13H,2,7-8,10-11,14H2,1H3;2*(H,6,7)
InChiKey: XJPQSXXHINIYFH-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		0.0187	0.4577	0.6557
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Onchocerca volvulus		0.0049	0.0642	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0187	0.4577	0.4577
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Brugia malayi	Pre-SET motif family protein	0.0235	0.5922	0.8448
Brugia malayi	hypothetical protein	0.0049	0.0642	0.0916
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0642	0.0916
Echinococcus multilocularis	glycine receptor subunit beta	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Brugia malayi	Pre-SET motif family protein	0.0034	0.02	0.0285
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0107	0.2278	0.325
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Echinococcus granulosus	nAChR subunit	0.0107	0.2278	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.0268	0.6876	0.6812
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Loa Loa (eye worm)	neuronal acetylcholine receptor protein	0.0049	0.0642	0.0642
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.0107	0.2278	0.2278
Echinococcus multilocularis	gamma aminobutyric acid receptor subunit	0.0049	0.0642	0.0452
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0048	0.0609	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0048	0.0609	1
Loa Loa (eye worm)	ACC-1 protein	0.0107	0.2278	0.2278
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0057	0.0877	0.1252
Echinococcus granulosus	histone lysine methyltransferase setb	0.0034	0.02	0.0036
Loa Loa (eye worm)	acetylcholine receptor protein	0.0049	0.0642	0.0642
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0107	0.2278	0.325
Onchocerca volvulus		0.0049	0.0642	0.0663
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0235	0.5922	0.5922
Loa Loa (eye worm)	ACC-1 protein	0.0107	0.2278	0.2278
Echinococcus granulosus	nAChR subunit	0.0057	0.0877	0.0725
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0107	0.2278	0.325
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0642	0.0916
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0268	0.6876	0.6876
Onchocerca volvulus	Putative nachr subunit	0.0268	0.6876	1
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0107	0.2278	0.325
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0107	0.2278	0.2121
Echinococcus granulosus	glycine receptor subunit beta	0.0107	0.2278	0.2149
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Brugia malayi	Acetylcholine receptor protein, alpha-like chain 1 precursor	0.0049	0.0642	0.0916
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0163	0.3894	0.3769
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Onchocerca volvulus		0.0107	0.2278	0.3113
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0107	0.2278	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0187	0.4577	0.4577
Loa Loa (eye worm)	GABA receptor subunit	0.0057	0.0877	0.0877
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0159	0.3763	0.3659
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0107	0.2278	0.325
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.0107	0.2278	0.2121
Schistosoma mansoni	acetylcholine receptor-related	0.0049	0.0642	0.0452
Brugia malayi	hypothetical protein	0.0049	0.0642	0.0916
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0057	0.0877	0.1252
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.0268	0.6876	0.6824
Giardia lamblia	Histone acetyltransferase GCN5	0.0044	0.0496	0.5
Onchocerca volvulus		0.0057	0.0877	0.1015
Schistosoma mansoni	neurotransmitter gated ion channel	0.0057	0.0877	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Schistosoma mansoni	calcium-activated potassium channel	0.0378	1	1
Loa Loa (eye worm)	hypothetical protein	0.0378	1	1
Onchocerca volvulus		0.0107	0.2278	0.3113
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0273	0.701	0.701
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.0107	0.2278	0.2278
Schistosoma mansoni	neurotransmitter gated ion channel	0.0049	0.0642	0.0452
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.0268	0.6876	0.6812
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0048	0.0609	0.0453
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0107	0.2278	0.2121
Echinococcus multilocularis	nAChR subunit	0.0057	0.0877	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.0187	0.4577	0.4467
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Trichomonas vaginalis	set domain proteins, putative	0.0267	0.6845	1
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0107	0.2278	0.2121
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0057	0.0877	0.0692
Brugia malayi	hypothetical protein	0.0049	0.0642	0.0916
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit type	0.0049	0.0642	0.0452
Onchocerca volvulus		0.0187	0.4577	0.6557
Echinococcus granulosus	glycine receptor subunit beta	0.0107	0.2278	0.2149
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.0107	0.2278	0.2278
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0107	0.2278	0.2121
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.0107	0.2278	0.325
Onchocerca volvulus		0.0187	0.4577	0.6557
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.0107	0.2278	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0141	0.3264	0.3264
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0163	0.3894	0.3769
Echinococcus multilocularis	small conductance calcium activated potassium	0.0378	1	1
Brugia malayi	hypothetical protein	0.0049	0.0642	0.0916
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.0107	0.2278	0.2121
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.0268	0.6876	0.6876
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Loa Loa (eye worm)	acetyltransferase	0.0163	0.3894	0.3894
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.0107	0.2278	0.325
Schistosoma mansoni	calcium-activated potassium channel	0.0299	0.7747	0.7701
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0057	0.0877	0.1252
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.0107	0.2278	0.325
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0057	0.0877	0.1252
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.0107	0.2278	0.325
Brugia malayi	Cation transporter family protein	0.0107	0.2278	0.325
Brugia malayi	Cation transporter family protein	0.0187	0.4577	0.6529
Onchocerca volvulus		0.0107	0.2278	0.3113
Echinococcus granulosus	gamma aminobutyric acid receptor subunit	0.0049	0.0642	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0049	0.0642	0.0486
Brugia malayi	Neuronal acetylcholine receptor protein, alpha-2 chain precursor	0.0049	0.0642	0.0916
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0107	0.2278	0.325
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.0107	0.2278	0.325
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.0107	0.2278	0.2121
Schistosoma mansoni	neurotransmitter gated ion channel	0.0049	0.0642	0.0452
Schistosoma mansoni	nicotinic acetylcholine receptor alpha	0.0057	0.0877	0.0692
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Echinococcus multilocularis	nAChR subunit	0.0107	0.2278	0.2121
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.0107	0.2278	0.325
Brugia malayi	acetyltransferase, GNAT family protein	0.0163	0.3894	0.5555
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.0268	0.6876	0.6824
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0107	0.2278	0.2121
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.0049	0.0642	0.0452
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.0107	0.2278	0.2149
Brugia malayi	follicle stimulating hormone receptor	0.0273	0.701	1
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.0107	0.2278	0.325
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0107	0.2278	0.2149
Brugia malayi	hypothetical protein	0.0049	0.0642	0.0916
Brugia malayi	Cation transporter family protein	0.0107	0.2278	0.325
Onchocerca volvulus		0.0049	0.0642	0.0663
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0642	0.0642
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.0268	0.6876	0.6824
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0049	0.0642	0.0916
Loa Loa (eye worm)	hypothetical protein	0.0158	0.3724	0.3724
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.0268	0.6876	0.9809
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Loa Loa (eye worm)	hypothetical protein	0.0138	0.3176	0.3176
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.0107	0.2278	0.2149
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Loa Loa (eye worm)	LGC-31 protein	0.0107	0.2278	0.2278
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0107	0.2278	0.325
Schistosoma mansoni	hypothetical protein	0.0378	1	1
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.0187	0.4577	0.4467
Entamoeba histolytica	hypothetical protein	0.0057	0.0877	1
Onchocerca volvulus		0.0057	0.0877	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0877	0.0877
Echinococcus granulosus	glycine receptor subunit alpha 1	0.0107	0.2278	0.2149
Schistosoma mansoni	nAChR subunit	0.0049	0.0642	0.0452
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.0049	0.0642	0.0642
Schistosoma mansoni	nAChR subunit	0.0107	0.2278	0.2121
Echinococcus multilocularis	glycine receptor subunit beta	0.0107	0.2278	0.2121
Brugia malayi	excitatory GABA receptor EXP-1A	0.0107	0.2278	0.325
Schistosoma mansoni	nAChR subunit	0.0049	0.0642	0.0452
Loa Loa (eye worm)	hypothetical protein	0.0034	0.02	0.02
Plasmodium falciparum	histone acetyltransferase GCN5	0.0044	0.0496	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1059	0.1059
Schistosoma mansoni	acetylcholine receptor subunit beta	0.0049	0.0642	0.0452
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.0107	0.2278	0.325
Onchocerca volvulus		0.0267	0.6845	0.9954
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0048	0.0609	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.0107	0.2278	0.2121
Loa Loa (eye worm)	hypothetical protein	0.0107	0.2278	0.2278
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.0268	0.6876	0.6812
Brugia malayi	glutamate-gated chloride channel alpha3A subunit, putative	0.0049	0.0642	0.0916
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.0107	0.2278	0.2149
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.0107	0.2278	0.2149

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: CHEMBL3503832

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 2077576