TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 560.656 | Formula: C33H37FN2O5
H donors: 2 H acceptors: 3 LogP: 8.62 Rotable bonds: 17
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCCc1ccc(cc1)OCC(Cn1ccc2c1ccc(c2)C(=O)O)NC(=O)Oc1cccc(c1)F
InChi: 1S/C33H37FN2O5/c1-2-3-4-5-6-7-9-24-12-15-29(16-13-24)40-23-28(35-33(39)41-30-11-8-10-27(34)21-30)22-36-19-18-25-20-26(32(37)38)14-17-31(25)36/h8,10-21,28H,2-7,9,22-23H2,1H3,(H,35,39)(H,37,38)
InChiKey: UEOARJUHQNVJEI-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 granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0291	0.0291
Entamoeba histolytica	hypothetical protein	0.0036	0.0291	0.056
Echinococcus granulosus	intermediate filament protein	0.0032	0.0203	0.0203
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0669	0.0669
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0267	0.5197	1
Onchocerca volvulus		0.0035	0.0274	0.0137
Toxoplasma gondii	phosphofructokinase PFKII	0.0034	0.0262	0.0879
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.0613	0.1006
Loa Loa (eye worm)	hypothetical protein	0.0163	0.2985	0.2985
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0274	0.0274
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0203	0.0203
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0078	0.1181	1
Echinococcus multilocularis	lamin	0.0032	0.0203	0.0203
Schistosoma mansoni	carbonic anhydrase-related	0.0163	0.2985	0.2985
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0262	0.0879
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2234	0.4122
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1181	0.1181
Brugia malayi	Probable ClpP-like protease	0.0078	0.1181	0.1181
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0291	0.0291
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0274	0.0274
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0244	0.4704	0.4704
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0056	0.0731	0.0731
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.2912	0.2912
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0101	0.0852
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.0613	0.0613
Echinococcus multilocularis	carbonic anhydrase	0.0163	0.2985	0.2985
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0274	0.0274
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0669	0.0669
Schistosoma mansoni	carbonic anhydrase-related	0.0163	0.2985	0.2985
Onchocerca volvulus		0.0056	0.0731	0.1013
Brugia malayi	Pre-SET motif family protein	0.0244	0.4704	0.4704
Schistosoma mansoni	carbonic anhydrase	0.0267	0.5197	0.5197
Schistosoma mansoni	hypothetical protein	0.0056	0.0731	0.0731
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	1
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.2234	0.2234
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0034	0.0262	0.0879
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.0613	0.0613
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.1982	0.3658
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2234	0.4298
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0262	0.0484
Schistosoma mansoni	peptidase Clp (S14 family)	0.0078	0.1181	0.1181
Plasmodium falciparum	carbonic anhydrase	0.0163	0.2985	1
Echinococcus multilocularis	lamin dm0	0.0032	0.0203	0.0203
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0274	0.0274
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0034	0.0262	0.0505
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.2234	0.2234
Schistosoma mansoni	hypothetical protein	0.0051	0.0623	0.0623
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0262	0.0484
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0115	0.1982	0.7214
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2234	0.4298
Toxoplasma gondii	6-phosphofructokinase	0.0034	0.0262	0.0879
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0127	0.2234	0.4185
Schistosoma mansoni	hypothetical protein	0.0198	0.3743	0.3743
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0262	0.2222
Loa Loa (eye worm)	phosphofructokinase	0.0127	0.2234	0.2234
Brugia malayi	hypothetical protein	0.0036	0.0291	0.0291
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0095	0.0095
Schistosoma mansoni	carbonic anhydrase	0.0163	0.2985	0.2985
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.0613	0.2231
Onchocerca volvulus		0.0277	0.5419	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0669	0.0669
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0669	0.0669
Schistosoma mansoni	hypothetical protein	0.0198	0.3743	0.3743
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0247	0.0247
Mycobacterium ulcerans	6-phosphofructokinase	0.0127	0.2234	0.4298
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.0613	0.2231
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0034	0.0262	0.1175
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0262	0.0484
Echinococcus multilocularis	carbonic anhydrase	0.0163	0.2985	0.2985
Brugia malayi	hypothetical protein	0.0142	0.2557	0.2557
Echinococcus granulosus	6 phosphofructokinase	0.0127	0.2234	0.2234
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0127	0.2234	0.8129
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0163	0.2985	0.2985
Trichomonas vaginalis	conserved hypothetical protein	0.0115	0.1982	0.3658
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0262	0.0484
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0034	0.0262	0.0484
Schistosoma mansoni	lamin	0.0032	0.0203	0.0203
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0078	0.1181	0.1181
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0078	0.1181	0.1181
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0669	0.0669
Brugia malayi	phosphofructokinase	0.0127	0.2234	0.2234
Loa Loa (eye worm)	hypothetical protein	0.0163	0.2985	0.2985
Echinococcus granulosus	lamin dm0	0.0032	0.0203	0.0203
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0147	0.2661	0.2661
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0101	0.0337
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0127	0.2234	0.2234
Schistosoma mansoni	hypothetical protein	0.0147	0.2661	0.2661
Echinococcus granulosus	carbonic anhydrase	0.0163	0.2985	0.2985
Loa Loa (eye worm)	hypothetical protein	0.0371	0.7416	0.7416
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0203	0.0203
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0127	0.2234	1
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.2912	0.2912
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0262	0.0484
Schistosoma mansoni	hypothetical protein	0.0163	0.2985	0.2985
Echinococcus granulosus	carbonic anhydrase	0.0163	0.2985	0.2985
Brugia malayi	6-phosphofructokinase	0.0127	0.2234	0.2234
Echinococcus multilocularis	carbonic anhydrase	0.0163	0.2985	0.2985
Echinococcus multilocularis	survival motor neuron protein 1	0.0277	0.5409	0.5409
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0274	0.0274
Trichomonas vaginalis	phosphofructokinase, putative	0.0034	0.0262	0.0484
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0034	0.0262	1
Echinococcus granulosus	lamin	0.0032	0.0203	0.0203
Brugia malayi	6-phosphofructokinase	0.0127	0.2234	0.2234
Brugia malayi	Pre-SET motif family protein	0.0035	0.0274	0.0274
Entamoeba histolytica	phosphofructokinase, putative	0.0127	0.2234	0.4298
Schistosoma mansoni	6-phosphofructokinase	0.0127	0.2234	0.2234
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2234	0.4122
Brugia malayi	intermediate filament protein	0.0032	0.0203	0.0203
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0274	0.0274
Leishmania major	ATP-dependent phosphofructokinase	0.0127	0.2234	0.2234
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.1181	0.3956
Plasmodium vivax	SET domain protein, putative	0.0035	0.0274	0.2324
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0274	0.0919
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0669	0.0669
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0163	0.2985	0.2985
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0291	0.0291
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0078	0.1181	0.212
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0163	0.2985	0.2985
Schistosoma mansoni	hypothetical protein	0.0036	0.0291	0.0291
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0159	0.2912	0.2912
Mycobacterium ulcerans	carbonic anhydrase	0.0115	0.1982	0.3814
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0669	0.0669
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	0.2272
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0147	0.2661	0.2661
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0163	0.2985	0.2985
Echinococcus granulosus	survival motor neuron protein 1	0.0277	0.5409	0.5409
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2234	0.4122
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0669	0.0669
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	0.2272
Loa Loa (eye worm)	hypothetical protein	0.0163	0.2985	0.2985
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0095	0.0095
Schistosoma mansoni	intermediate filament proteins	0.0032	0.0203	0.0203
Trichomonas vaginalis	phosphofructokinase, putative	0.0127	0.2234	0.4122
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0151	0.2748	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0163	0.2985	0.2985
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	0.3956
Echinococcus granulosus	carbonic anhydrase	0.0163	0.2985	0.2985
Loa Loa (eye worm)	hypothetical protein	0.0277	0.5409	0.5409
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0101	0.045
Trichomonas vaginalis	set domain proteins, putative	0.0277	0.5419	1
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.2234	0.2234
Brugia malayi	hypothetical protein	0.0277	0.5409	0.5409
Mycobacterium ulcerans	carbonic anhydrase	0.0267	0.5197	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0291	0.056
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0203	0.0203
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0669	0.0669
Leishmania major	carbonic anhydrase family protein, putative	0.0267	0.5197	0.5197
Entamoeba histolytica	hypothetical protein	0.0036	0.0291	0.056
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0034	0.0262	0.0879
Echinococcus multilocularis	geminin	0.0198	0.3743	0.3743
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0191	0.0191
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0163	0.2985	0.2985
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0203	0.0203
Schistosoma mansoni	lamin	0.0032	0.0203	0.0203
Loa Loa (eye worm)	6-phosphofructokinase	0.0127	0.2234	0.2234
Schistosoma mansoni	survival motor neuron protein	0.0056	0.0731	0.0731
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0274	0.0274
Entamoeba histolytica	hypothetical protein	0.0036	0.0291	0.056
Toxoplasma gondii	hypothetical protein	0.0163	0.2985	1
Echinococcus multilocularis	musashi	0.0032	0.0203	0.0203
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0078	0.1181	0.5287
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0274	0.0274
Echinococcus multilocularis	6 phosphofructokinase	0.0127	0.2234	0.2234
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0078	0.1181	0.3956
Schistosoma mansoni	carbonic anhydrase-related	0.0163	0.2985	0.2985
Entamoeba histolytica	carbonic anhydrase, putative	0.0267	0.5197	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0034	0.0262	0.2222
Toxoplasma gondii	hypothetical protein	0.0027	0.0101	0.0337
Echinococcus granulosus	geminin	0.0198	0.3743	0.3743

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: CHEMBL1684916

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 1505190