TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 488.525 | Formula: C24H23F3N4O2S
H donors: 1 H acceptors: 4 LogP: 4.58 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(c2ccc(cn2)S(=O)(=O)N[C@@H](C(F)(F)F)C)n(c2c1ccc(c2)C1CC1)C1CCC1
InChi: 1S/C24H23F3N4O2S/c1-14(24(25,26)27)30-34(32,33)18-8-10-21(29-13-18)23-20(12-28)19-9-7-16(15-5-6-15)11-22(19)31(23)17-3-2-4-17/h7-11,13-15,17,30H,2-6H2,1H3/t14-/m1/s1
InChiKey: HNIAFCCLWJVBGS-CQSZACIVSA-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
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0047	0	0.5
Toxoplasma gondii	subtilisin SUB12	0.01	0.0182	0.0353
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.006	0.0047	0.0047
Onchocerca volvulus		0.01	0.0182	1
Toxoplasma gondii	microneme protein MIC17B	0.01	0.0182	0.0353
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Loa Loa (eye worm)	PAN domain-containing protein	0.01	0.0182	0.0182
Schistosoma mansoni	hypothetical protein	0.006	0.0047	0.0047
Echinococcus granulosus	dual specificity mitogen activated protein	0.2955	1	1
Echinococcus multilocularis	enteropeptidase	0.006	0.0047	0.0047
Toxoplasma gondii	microneme protein MIC4	0.01	0.0182	0.0353
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.011	0.0217	0.0217
Echinococcus multilocularis	dual specificity mitogen activated protein	0.2955	1	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Toxoplasma gondii	microneme protein MIC17C	0.01	0.0182	0.0353
Brugia malayi	Trypsin family protein	0.006	0.0047	0.0047
Onchocerca volvulus		0.006	0.0047	0.2558
Echinococcus multilocularis	Mastin	0.006	0.0047	0.0047
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Loa Loa (eye worm)	STE/STE7/MEK7 protein kinase	0.2955	1	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Brugia malayi	Trypsin family protein	0.006	0.0047	0.0047
Brugia malayi	hypothetical protein	0.006	0.0047	0.0047
Brugia malayi	Trypsin family protein	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Onchocerca volvulus		0.01	0.0182	1
Schistosoma mansoni	protein kinase	0.2955	1	1
Echinococcus granulosus	Mastin	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.006	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Onchocerca volvulus		0.01	0.0182	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Onchocerca volvulus		0.01	0.0182	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Onchocerca volvulus		0.01	0.0182	1
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.006	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Loa Loa (eye worm)	PAN domain-containing protein	0.01	0.0182	0.0182
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Toxoplasma gondii	microneme protein, putative	0.01	0.0182	0.0353
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Loa Loa (eye worm)	trypsin family protein	0.006	0.0047	0.0047
Toxoplasma gondii	hypothetical protein	0.01	0.0182	0.0353
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.006	0.0047	0.0047
Toxoplasma gondii	PAN domain-containing protein	0.155	0.5168	1
Toxoplasma gondii	PAN domain-containing protein	0.01	0.0182	0.0353
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Echinococcus granulosus	glycoprotein Antigen 5	0.006	0.0047	0.0047
Toxoplasma gondii	PAN/Apple domain-containing protein	0.01	0.0182	0.0353
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Toxoplasma gondii	microneme protein MIC17A	0.01	0.0182	0.0353
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Onchocerca volvulus		0.006	0.0047	0.2558
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Onchocerca volvulus		0.01	0.0182	1
Echinococcus multilocularis	transmembrane protease serine 3	0.006	0.0047	0.0047
Onchocerca volvulus		0.006	0.0047	0.2558
Schistosoma mansoni	hypothetical protein	0.006	0.0047	0.0047
Toxoplasma gondii	PAN domain-containing protein	0.155	0.5168	1
Brugia malayi	Protein kinase domain containing protein	0.0056	0.0031	0.0031
Loa Loa (eye worm)	STE/STE7/MEK7 protein kinase	0.2955	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Onchocerca volvulus		0.006	0.0047	0.2558
Onchocerca volvulus		0.01	0.0182	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Toxoplasma gondii	hypothetical protein	0.01	0.0182	0.0353
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Loa Loa (eye worm)	PAN domain-containing protein	0.01	0.0182	0.0182
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Toxoplasma gondii	PAN domain-containing protein	0.01	0.0182	0.0353
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Mycobacterium ulcerans	hypothetical protein	0.006	0.0047	0.5
Plasmodium falciparum	cysteine repeat modular protein 1	0.0047	0	0.5
Onchocerca volvulus		0.01	0.0182	1
Loa Loa (eye worm)	PAN domain-containing protein	0.01	0.0182	0.0182
Toxoplasma gondii	PAN domain-containing protein	0.01	0.0182	0.0353
Loa Loa (eye worm)	hypothetical protein	0.01	0.0182	0.0182
Onchocerca volvulus		0.01	0.0182	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.006	0.0047	0.0047
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.006	0.0047	0.0047
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Brugia malayi	Trypsin family protein	0.006	0.0047	0.0047
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.006	0.0047	0.0047
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Toxoplasma gondii	PAN domain-containing protein	0.01	0.0182	0.0353
Leishmania major	hypothetical protein, conserved	0.0047	0	0.5
Brugia malayi	Trypsin-like protease protein 5	0.006	0.0047	0.0047
Onchocerca volvulus		0.01	0.0182	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Echinococcus granulosus	transmembrane protease serine 3	0.006	0.0047	0.0047
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Onchocerca volvulus		0.006	0.0047	0.2558
Onchocerca volvulus		0.01	0.0182	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0056	0.0031	0.0031
Schistosoma mansoni	cercarial elastase (S01 family)	0.006	0.0047	0.0047
Onchocerca volvulus		0.006	0.0047	0.2558
Brugia malayi	PAN domain containing protein	0.01	0.0182	0.0182
Echinococcus granulosus	enteropeptidase	0.006	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.006	0.0047	0.0047
Toxoplasma gondii	1,3(4)-beta-glucanase	0.01	0.0182	0.0353
Loa Loa (eye worm)	PAN domain-containing protein	0.01	0.0182	0.0182

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: CHEMBL2398074

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1762424