TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.52 | Formula: C24H32F2N2O2
H donors: 0 H acceptors: 0 LogP: 4.73 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: FCCOc1ccc(cc1OC)CCN1CCN(CC1)CCCc1ccc(cc1)F
InChi: 1S/C24H32F2N2O2/c1-29-24-19-21(6-9-23(24)30-18-11-25)10-13-28-16-14-27(15-17-28)12-2-3-20-4-7-22(26)8-5-20/h4-9,19H,2-3,10-18H2,1H3
InChiKey: JDEPOZXGNBBGMI-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
Echinococcus multilocularis	geminin	0.018	0.1132	0.6963
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0082	0.0082
Schistosoma mansoni	zinc finger protein	0.0021	0.0028	0.0139
Onchocerca volvulus		0.0251	0.1628	1
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0099	0.0099
Brugia malayi	intermediate filament protein	0.0029	0.0082	0.0082
Loa Loa (eye worm)	hypothetical protein	0.1456	1	1
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1625	0.1625
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0229	0.1135
Schistosoma mansoni	hypothetical protein	0.0307	0.2019	1
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0405	0.0405
Schistosoma mansoni	hypothetical protein	0.0036	0.0135	0.0668
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.0284	0.1746
Loa Loa (eye worm)	NNMT/PNMT/TEMT family protein	0.1456	1	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0235	0.1447
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.005	0.0229	0.1135
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0144	0.0884
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.005	0.0229	0.0229
Onchocerca volvulus	Alhambra homolog	0.0031	0.0099	0.0104
Brugia malayi	mbt repeat family protein	0.0051	0.0235	0.0235
Echinococcus granulosus	survival motor neuron protein 1	0.0251	0.1625	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.0284	0.1746
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0135	0.0135
Schistosoma mansoni	hypothetical protein	0.018	0.1132	0.5605
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0009	0.0047
Brugia malayi	hypothetical protein	0.0251	0.1625	0.1625
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0063	0.0323	0.199
Echinococcus granulosus	zinc finger protein	0.0021	0.0028	0.0172
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0158	0.0971
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.0235	0.0988
Brugia malayi	jmjC domain containing protein	0.0101	0.0587	0.0587
Brugia malayi	Bromodomain containing protein	0.0033	0.0116	0.0116
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0079	0.0079
Echinococcus granulosus	lamin dm0	0.0029	0.0082	0.0507
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0104	0.0513
Onchocerca volvulus		0.0051	0.0235	0.0988
Schistosoma mansoni	bromodomain containing protein	0.0067	0.035	0.1733
Echinococcus granulosus	histone lysine methyltransferase setb	0.005	0.0229	0.1411
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0221	0.1358
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0235	0.1447
Echinococcus granulosus	intermediate filament protein	0.0029	0.0082	0.0507
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0221	0.1093
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0009	0.0058
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.005	0.0247
Echinococcus multilocularis	zinc finger protein	0.0021	0.0028	0.0172
Trichomonas vaginalis	set domain proteins, putative	0.0251	0.1628	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0221	0.1358
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0251	0.0251
Brugia malayi	Bromodomain containing protein	0.008	0.0436	0.0436
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0101	0.0587	0.3612
Onchocerca volvulus		0.0051	0.0239	0.1013
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0239	0.1184
Loa Loa (eye worm)	hypothetical protein	0.1456	1	1
Brugia malayi	mbt repeat family protein	0.0051	0.0235	0.0235
Schistosoma mansoni	jumonji domain containing protein	0.008	0.0442	0.2191
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0221	0.0221
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0101	0.0587	0.3612
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0235	0.1447
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0221	0.1093
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0104	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0184	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0235	0.0235
Echinococcus granulosus	lamin	0.0029	0.0082	0.0507
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.0284	0.1405
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0158	0.0781
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0082	0.0082
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.0284	0.0284
Brugia malayi	PHD-finger family protein	0.0031	0.0099	0.0099
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0082	0.0082
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0036	0.0036
Brugia malayi	Bromodomain containing protein	0.0041	0.0166	0.0166
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0221	0.1358
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0082	0.0082
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0099	0.5
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.0284	0.1746
Loa Loa (eye worm)	bromodomain containing protein	0.0019	0.0014	0.0014
Echinococcus granulosus	geminin	0.018	0.1132	0.6963
Schistosoma mansoni	lamin	0.0029	0.0082	0.0408
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0235	0.0235
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0221	0.0221
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0235	0.1164
Schistosoma mansoni	hypothetical protein	0.0031	0.0099	0.0488
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0183	0.1124
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0221	0.1358
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.005	0.0307
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0009	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0251	0.0251
Echinococcus granulosus	peregrin	0.0033	0.0116	0.0714
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0099	0.0606
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0158	0.0781
Echinococcus multilocularis	peregrin	0.0033	0.0116	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0198	0.0198
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0251	0.0251
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0235	0.1447
Schistosoma mansoni	hypothetical protein	0.0051	0.0239	0.1184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0221	0.1093
Brugia malayi	jmjC domain containing protein	0.0039	0.0158	0.0158
Loa Loa (eye worm)	MBCTL1	0.0058	0.0284	0.0284
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0099	0.0099
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0009	0.0058
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0239	0.0239
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0104	0.0513
Schistosoma mansoni	hypothetical protein	0.018	0.1132	0.5605
Echinococcus multilocularis	survival motor neuron protein 1	0.0251	0.1625	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0099	0.0606
Plasmodium vivax	SET domain protein, putative	0.0032	0.0104	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0252	0.0252
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0199	0.1268	0.7802
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.005	0.0307
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0082	0.0408
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0038	0.0148	0.0913
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.0235	0.1164
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0038	0.0148	0.0913
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0063	0.0323	0.199
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0166	0.0166
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0251	0.0251
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0099	0.0488
Echinococcus multilocularis	lamin	0.0029	0.0082	0.0507
Giardia lamblia	PHD finger protein 15	0.0031	0.0099	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0221	0.1416	0.1416
Schistosoma mansoni	hypothetical protein	0.0022	0.0036	0.0177
Schistosoma mansoni	lamin	0.0029	0.0082	0.0408
Echinococcus multilocularis	lamin dm0	0.0029	0.0082	0.0507
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0235	0.1164
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0183	0.1124
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0096	0.0588
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.005	0.0229	0.1411
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0158	0.0158
Brugia malayi	Pre-SET motif family protein	0.0221	0.1416	0.1416
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0104	0.0638
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0135	0.0135
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.0327	0.0327
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0199	0.1268	0.7802
Brugia malayi	Pre-SET motif family protein	0.0032	0.0104	0.0104
Onchocerca volvulus		0.0032	0.0104	0.0137
Brugia malayi	PHD-finger family protein	0.0026	0.0067	0.0067
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.0284	0.1746
Echinococcus multilocularis	musashi	0.0029	0.0082	0.0507

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: CHEMBL1917285

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 1564885