TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.443 | Formula: C22H24FN3O3
H donors: 0 H acceptors: 2 LogP: 3.75 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CN(Cc1cn(nc1c1cccc(c1)F)c1ccc(cc1)OC)C
InChi: 1S/C22H24FN3O3/c1-4-29-21(27)15-25(2)13-17-14-26(19-8-10-20(28-3)11-9-19)24-22(17)16-6-5-7-18(23)12-16/h5-12,14H,4,13,15H2,1-3H3
InChiKey: VRILHIVKJBEYOM-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
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0022	0.0383	0.2064
Schistosoma mansoni	hypothetical protein	0.0039	0.0967	0.0792
Loa Loa (eye worm)	RNA binding protein	0.0071	0.201	0.197
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.201	0.197
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0025	0.0474	0.4861
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0426	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0028	0.0588	0.481
Echinococcus granulosus	intermediate filament protein	0.0086	0.2535	0.239
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0967	0.0792
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0042	0.1036	0.0863
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0609	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0086	0.2535	0.2825
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0028	0.0588	0.481
Brugia malayi	cytoplasmic intermediate filament protein	0.0046	0.119	0.1205
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.1444	0.1511
Mycobacterium ulcerans	polyketide synthase	0.0028	0.0588	0.481
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0019	0.0281	0.288
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0027	0.0532	0.5463
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.201	0.1855
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0021	0.0358	0.172
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2863	0.2725
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.004	0.0975	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0967	1
Echinococcus granulosus	survival motor neuron protein 1	0.0263	0.8492	0.8462
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0139	0.009
Echinococcus multilocularis	geminin	0.0176	0.5562	0.5476
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.004	0.0975	1
Loa Loa (eye worm)	hypothetical protein	0.0085	0.2482	0.2444
Echinococcus multilocularis	lamin dm0	0.0086	0.2535	0.239
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0426	1
Mycobacterium leprae	Polyketide synthase Pks13	0.004	0.0975	1
Echinococcus granulosus	lamin dm0	0.0086	0.2535	0.239
Loa Loa (eye worm)	intermediate filament protein	0.0086	0.2535	0.2498
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.019	0.0141
Echinococcus granulosus	geminin	0.0176	0.5562	0.5476
Toxoplasma gondii	type I fatty acid synthase, putative	0.0028	0.0588	0.9593
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0022	0.037	0.3792
Loa Loa (eye worm)	hypothetical protein	0.0045	0.114	0.1096
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1381	0.1338
Toxoplasma gondii	type I fatty acid synthase, putative	0.0019	0.0275	0.3557
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.201	0.197
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.201	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1036	0.0992
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0028	0.0588	0.6033
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2863	0.2725
Onchocerca volvulus		0.0054	0.1444	0.4709
Brugia malayi	hypothetical protein	0.0039	0.0967	0.0936
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0967	0.0792
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0021	0.0358	0.172
Onchocerca volvulus		0.0086	0.2535	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0353	0.0305
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0027	0.0532	0.4065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2863	0.2725
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0025	0.0474	0.0426
Loa Loa (eye worm)	hypothetical protein	0.004	0.0983	0.0938
Onchocerca volvulus		0.0086	0.2535	1
Echinococcus multilocularis	musashi	0.0086	0.2535	0.239
Brugia malayi	TAR-binding protein	0.0071	0.201	0.2193
Schistosoma mansoni	importin beta-1	0.0029	0.0609	0.0427
Brugia malayi	hypothetical protein	0.0263	0.8492	1
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.201	0.1855
Mycobacterium ulcerans	thioesterase	0.0022	0.0383	0.2064
Brugia malayi	intermediate filament protein	0.0086	0.2535	0.2825
Onchocerca volvulus		0.0046	0.1194	0.3497
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0028	0.0588	0.481
Echinococcus multilocularis	survival motor neuron protein 1	0.0263	0.8492	0.8462
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0353	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0609	0.0562
Mycobacterium ulcerans	polyketide synthase	0.0027	0.0532	0.4065
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.201	0.1855
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0353	0.5
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0609	1
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0027	0.0532	0.4065
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0022	0.0383	0.3934
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.201	0.2193
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0474	0.0342
Brugia malayi	RNA binding protein	0.0071	0.201	0.2193
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0609	0.0427
Loa Loa (eye worm)	hypothetical protein	0.0263	0.8492	0.8484
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0027	0.0532	0.5463
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.2863	0.2725
Schistosoma mansoni	hypothetical protein	0.0054	0.1444	0.1279
Schistosoma mansoni	hypothetical protein	0.0035	0.083	0.0652
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.201	0.1855
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0026	0.0505	0.5182
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0027	0.0532	0.4065
Schistosoma mansoni	ran	0.0021	0.0353	0.0166
Entamoeba histolytica	hypothetical protein	0.0039	0.0967	1
Schistosoma mansoni	lamin	0.0086	0.2535	0.239
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.005	0.1333	0.1377
Plasmodium falciparum	importin beta, putative	0.0029	0.0609	1
Echinococcus multilocularis	lamin	0.0086	0.2535	0.239
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0015	0.0147	0.1505
Mycobacterium ulcerans	thioesterase TesA	0.0022	0.0383	0.2064
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.1381	0.1435
Entamoeba histolytica	hypothetical protein	0.0039	0.0967	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.2863	0.322
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0027	0.0532	0.4065
Entamoeba histolytica	hypothetical protein	0.0039	0.0967	1
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0027	0.0532	0.5463
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0967	0.0792
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0609	1
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0027	0.0532	0.0413
Loa Loa (eye worm)	hypothetical protein	0.004	0.0983	0.0938
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0086	0.2535	0.2498
Entamoeba histolytica	hypothetical protein	0.0023	0.0426	0.1184
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0042	0.1036	0.0863
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.201	0.1855
Schistosoma mansoni	hypothetical protein	0.0176	0.5562	0.5476
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2863	0.2725
Mycobacterium ulcerans	polyketide synthase Pks13	0.004	0.0975	1
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0017	0.0218	0.247
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.1381	0.1338
Echinococcus granulosus	tar DNA binding protein	0.0071	0.201	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0016	0.019	0.0141
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0027	0.0532	0.4065
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.2863	0.2725
Schistosoma mansoni	lamin	0.0086	0.2535	0.239
Echinococcus granulosus	lamin	0.0086	0.2535	0.239
Onchocerca volvulus	Fatty acid synthase homolog	0.0048	0.125	0.3766
Schistosoma mansoni	hypothetical protein	0.0308	1	1
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0028	0.0588	0.6033
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0609	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.083	0.0784
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0353	0.5061
Schistosoma mansoni	intermediate filament proteins	0.0086	0.2535	0.239
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0353	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0086	0.2535	0.2498
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0028	0.0588	0.6033
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0353	0.0166
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0028	0.0588	0.481
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0028	0.0588	0.481
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0026	0.0505	0.5182
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0426	1
Schistosoma mansoni	ran	0.0021	0.0353	0.0166
Echinococcus multilocularis	snurportin 1	0.0308	1	1
Loa Loa (eye worm)	fatty acid synthase	0.0026	0.0521	0.0473
Schistosoma mansoni	survival motor neuron protein	0.0054	0.1444	0.1279
Brugia malayi	Importin beta-1 subunit	0.0029	0.0609	0.0505
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0609	0.0427
Brugia malayi	RNA, U transporter 1	0.0082	0.2399	0.266
Schistosoma mansoni	hypothetical protein	0.0176	0.5562	0.5476
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.2863	0.2725
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0426	1
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0046	0.119	0.1146
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.083	0.0771
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0426	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.1381	0.1435
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0021	0.0358	0.172
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0027	0.0532	0.4065
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.2863	0.2827

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 760621