TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 557.612 | Formula: C32H32FN3O5
H donors: 1 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: Fc1cccc(c1)C(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1[C@@H](CO2)O[C@@H](CC1)CC(=O)N1CCc2c(C1)cccc2
InChi: 1S/C32H32FN3O5/c1-35-27-11-10-25(17-30(37)36-14-13-20-5-2-3-6-22(20)18-36)41-29(27)19-40-28-12-9-24(16-26(28)32(35)39)34-31(38)21-7-4-8-23(33)15-21/h2-9,12,15-16,25,27,29H,10-11,13-14,17-19H2,1H3,(H,34,38)/t25-,27-,29+/m0/s1
InChiKey: QLULEMAAPAULBU-MDZVADFISA-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	potassium voltage gated channel subfamily A	0.0337	0.0953	0.0953
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0015	0	0.5
Plasmodium vivax	kelch protein K13, putative	0.0015	0	0.5
Trypanosoma brucei	BTB/POZ domain/Regulator of chromosome condensation (RCC1) repeat, putative	0.0015	0	0.5
Trypanosoma cruzi	potassium voltage-gated channel, putative	0.0015	0	0.5
Trypanosoma cruzi	btb/poz domain containing protein, putative	0.0015	0	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0352	0.0999	0.0999
Echinococcus multilocularis	solute carrier family 28	0.3387	1	1
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0029	0.0039	0.0039
Plasmodium vivax	K+ channel tetramerisation domain containing protein	0.0015	0	0.5
Echinococcus multilocularis	voltage gated potassium channel	0.0029	0.0039	0.0039
Trypanosoma brucei	btb/poz domain containing protein, putative	0.0015	0	0.5
Echinococcus multilocularis	potassium voltage gated channel protein	0.0029	0.0039	0.0039
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.0029	0.0039	0.0039
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0029	0.0039	0.0394
Onchocerca volvulus		0.0015	0	0.5
Trypanosoma brucei	potassium voltage-gated channel, putative	0.0015	0	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0015	0	0.5
Leishmania major	hypothetical protein, conserved	0.0015	0	0.5
Echinococcus granulosus	potassium voltage gated channel protein	0.0029	0.0039	0.0039
Schistosoma mansoni	voltage-gated potassium channel	0.0352	0.0999	1
Trypanosoma cruzi	btb/poz domain containing protein, putative	0.0015	0	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0029	0.0039	0.0039
Trypanosoma brucei	btb/poz domain containing protein, putative	0.0015	0	0.5
Trypanosoma brucei	btb/poz domain containing protein, putative	0.0015	0	0.5
Trypanosoma cruzi	potassium voltage-gated channel	0.0015	0	0.5
Loa Loa (eye worm)	voltage-gated potassium channel	0.0029	0.0039	0.0394
Schistosoma mansoni	voltage-gated potassium channel	0.0352	0.0999	1
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0039	0.0394
Toxoplasma gondii	kelch repeat and K+ channel tetramerisation domain containing protein	0.0015	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0039	0.0394
Trypanosoma cruzi	btb/poz domain containing protein, putative	0.0015	0	0.5
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.0029	0.0039	0.0039
Echinococcus multilocularis	shaker cognate	0.0029	0.0039	0.0039
Onchocerca volvulus		0.0015	0	0.5
Echinococcus multilocularis	potassium voltage gated channel protein	0.0352	0.0999	0.0999
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0029	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0039	0.0394
Echinococcus granulosus	shaker cognate	0.0029	0.0039	0.0039
Echinococcus granulosus	Na+ dependent nucleoside transporter	0.3387	1	1
Trypanosoma cruzi	btb/poz domain containing protein, putative	0.0015	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0352	0.0999	1
Leishmania major	potassium voltage-gated channel, putative	0.0015	0	0.5
Echinococcus granulosus	concentrative Na nucleoside cotransporter	0.3387	1	1
Echinococcus granulosus	voltage gated potassium channel	0.0029	0.0039	0.0039
Trypanosoma cruzi	btb/poz domain containing protein, putative	0.0015	0	0.5
Toxoplasma gondii	K+ channel tetramerisation domain-containing protein	0.0015	0	0.5
Trypanosoma brucei	btb/poz domain containing protein, putative	0.0015	0	0.5
Echinococcus multilocularis	concentrative Na+ nucleoside cotransporter	0.3387	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0039	0.0394
Echinococcus multilocularis	transfer RNA-Gly	0.0029	0.0039	0.0039
Echinococcus multilocularis	sodium:nucleoside cotransporter 2	0.2209	0.6506	0.6506
Leishmania major	hypothetical protein, conserved	0.0015	0	0.5
Schistosoma mansoni	vesicular amine transporter	0.0029	0.0039	0.0394
Trypanosoma cruzi	btb/poz domain containing protein, putative	0.0015	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0039	0.0394
Echinococcus granulosus	potassium voltage gated channel protein	0.0352	0.0999	0.0999
Echinococcus multilocularis	potassium voltage gated channel protein	0.0029	0.0039	0.0039
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0039	0.0394
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0029	0.0039	0.0394
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0029	0.0039	0.0039
Plasmodium falciparum	kelch protein K13	0.0015	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0029	0.0039	0.0394
Onchocerca volvulus		0.0015	0	0.5
Leishmania major	hypothetical protein, conserved	0.0015	0	0.5
Trypanosoma brucei	potassium voltage-gated channel, putative	0.0015	0	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.0029	0.0039	0.0039
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0352	0.0999	1
Echinococcus granulosus	potassium voltage gated channel protein	0.0029	0.0039	0.0039
Onchocerca volvulus		0.0015	0	0.5
Onchocerca volvulus		0.0015	0	0.5

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: CHEMBL2134579

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1713775