TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.489 | Formula: C23H22FNO3S
H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=C1C(=NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1cccs1)C)O
InChi: 1S/C23H22FNO3S/c1-3-28-23(27)20-13(2)25-17-11-14(19-9-6-10-29-19)12-18(26)22(17)21(20)15-7-4-5-8-16(15)24/h4-10,14,21,27H,3,11-12H2,1-2H3
InChiKey: ODGCSHFFUKCBNY-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
Giardia lamblia	GTOR	0.0044	0.0948	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0703	0.7408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0372	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0214	0.139
Mycobacterium ulcerans	bacterioferritin BfrB	0.0018	0.0243	0.1797
Echinococcus granulosus	lamin dm0	0.0055	0.1238	0.1226
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0396	0.4171
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0546	0.1889
Loa Loa (eye worm)	phosphatidylinositol 3	0.0015	0.015	0.0518
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0703	0.7408
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0214	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.015	0.1579
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1248	0.4319
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0044	0.0948	0.2814
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0035	0.0703	0.6934
Onchocerca volvulus		0.0023	0.0372	0.2908
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.3069	0.3059
Echinococcus multilocularis	tumor protein p63	0.0378	1	1
Schistosoma mansoni	ferritin light chain	0.0018	0.0243	0.069
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0015	0.015	0.0474
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Onchocerca volvulus		0.0055	0.1248	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0013	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0527	0.5555
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0465	0.4901
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.2888	1
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0013	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0396	0.4171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0465	0.4901
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0315	0.207
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.1248	0.3715
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0396	0.4171
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0214	0.0742
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0015	0.015	0.041
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0372	0.1248
Echinococcus multilocularis	lamin dm0	0.0055	0.1238	0.1226
Schistosoma mansoni	apoferritin-2	0.0018	0.0243	0.069
Schistosoma mansoni	apoferritin-2	0.0018	0.0243	0.069
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0372	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0372	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0044	0.0948	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0703	0.7408
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.1238	0.4286
Loa Loa (eye worm)	phosphatidylinositol 3	0.0044	0.0948	0.3283
Schistosoma mansoni	ferritin	0.0018	0.0243	0.069
Echinococcus granulosus	expressed protein	0.0018	0.0243	0.0229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0703	0.7408
Echinococcus granulosus	ferritin	0.0018	0.0243	0.0229
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.1238	0.426
Schistosoma mansoni	lamin	0.0055	0.1238	0.3686
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1238	0.4286
Echinococcus multilocularis	lamin	0.0055	0.1238	0.1226
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0132	0.3335	0.3326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0553	0.5829
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0372	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0546	0.1851
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0214	0.0742
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0948	1
Brugia malayi	MH2 domain containing protein	0.0116	0.2888	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.064	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0372	1
Echinococcus granulosus	intermediate filament protein	0.0055	0.1238	0.1226
Schistosoma mansoni	ferritin light chain	0.0018	0.0243	0.069
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1211	0.4192
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0372	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0395	0.4161
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0044	0.0948	1
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.3335	1
Echinococcus multilocularis	musashi	0.0055	0.1238	0.1226
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0466	0.0454
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0372	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0703	0.7408
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0044	0.0948	0.3252
Schistosoma mansoni	intermediate filament proteins	0.0055	0.1238	0.3686
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0044	0.0948	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0214	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0013	0.0047
Mycobacterium ulcerans	bacterioferritin BfrA	0.0018	0.0243	0.1797
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0372	0.1248
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0044	0.0948	0.0936
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Schistosoma mansoni	hypothetical protein	0.0122	0.3069	0.9197
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0013	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0069	0.0729
Mycobacterium tuberculosis	Probable bacterioferritin BfrA	0.0018	0.0243	0.2937
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0044	0.0948	1
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0214	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0044	0.0948	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0214	0.0742
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0466	0.0454
Onchocerca volvulus		0.0055	0.1238	0.9923
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0372	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0035	0.0703	0.6934
Mycobacterium tuberculosis	Bacterioferritin BfrB	0.0018	0.0243	0.2937
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0439	0.1521
Brugia malayi	intermediate filament protein	0.0055	0.1238	0.426
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0466	0.1615
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0396	0.4171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0458	0.4826
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0372	0.2788
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0395	0.4161
Trypanosoma cruzi	target of rapamycin kinase 3	0.0035	0.0703	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0214	0.0742
Schistosoma mansoni	ferritin	0.0018	0.0243	0.069
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Treponema pallidum	bacterioferrin (TpF1)	0.0018	0.0243	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0372	0.1289
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0372	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0948	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.015	0.1579
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0372	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0044	0.0948	1
Schistosoma mansoni	lamin	0.0055	0.1238	0.3686
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.015	0.1579
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0372	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.064	0.6753
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.015	0.1579
Schistosoma mansoni	ferritin	0.0018	0.0243	0.069
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0015	0.015	0.0136
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0013	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0458	0.4826
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0044	0.0948	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.2888	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0013	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0372	0.1289
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.1238	0.4286
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.3069	0.3059
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0439	0.1521
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0018	0.0246	0.1204
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0015	0.015	0.1579
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0044	0.0948	0.0936
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0372	0.1289
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0015	0.015	0.0136
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0395	0.4161
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0013	0.0047
Echinococcus multilocularis	ferritin	0.0018	0.0243	0.0229
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0372	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0047
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0773	0.8147
Trichomonas vaginalis	ferritin, putative	0.0018	0.0243	0.2559
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0044	0.0948	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0214	0.0742
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0372	0.1248
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0018	0.0243	0.5
Schistosoma mansoni	ferritin	0.0018	0.0243	0.069
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0013	0.0047
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0372	0.2788
Echinococcus multilocularis	expressed protein	0.0018	0.0243	0.0229
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0372	0.2788
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0948	1
Echinococcus granulosus	lamin	0.0055	0.1238	0.1226
Schistosoma mansoni	thyroid hormone receptor	0.0132	0.3335	1
Onchocerca volvulus		0.0055	0.1238	0.9923
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0465	0.4901

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 759299