TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.005 | Formula: C24H26ClFN4O2S
H donors: 0 H acceptors: 4 LogP: 4.21 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)F)C(c1cncnc1)N1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(C)C
InChi: 1S/C24H26ClFN4O2S/c1-17(2)18-3-6-21(7-4-18)33(31,32)30-11-9-29(10-12-30)24(19-14-27-16-28-15-19)22-8-5-20(25)13-23(22)26/h3-8,13-17,24H,9-12H2,1-2H3
InChiKey: RUBIHLJFXUDMHT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1222	0.0899
Brugia malayi	RNA recognition motif domain containing protein	0.0139	0.7387	1
Echinococcus granulosus	tar DNA binding protein	0.0139	0.7387	0.7161
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1884	0.1182
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0613	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.1545	0.0814
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.386	0.3329
Leishmania major	hypothetical protein, conserved	0.0028	0.0613	0.5
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.1545	0.0814
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0613	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0796	0.027
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.7387	0.7161
Loa Loa (eye worm)	hypothetical protein	0.0056	0.2305	0.2497
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.1198	0.0437
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0796	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1884	0.1182
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.2305	0.2497
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.5147	0.4728
Schistosoma mansoni	hypothetical protein	0.0181	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.6715	0.9009
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1222	0.1654
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.1884	0.2551
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0796	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1884	0.1182
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.1198	0.0437
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.1884	0.1876
Brugia malayi	Bromodomain containing protein	0.0031	0.0796	0.1077
Echinococcus multilocularis	geminin	0.0181	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.7387	0.7161
Brugia malayi	TAR-binding protein	0.0139	0.7387	1
Schistosoma mansoni	hypothetical protein	0.0038	0.1222	0.0463
Onchocerca volvulus	Alhambra homolog	0.0031	0.0796	0.5
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.1198	0.0437
Schistosoma mansoni	eyes absent homolog	0.0094	0.4664	0.4203
Loa Loa (eye worm)	hypothetical protein	0.0094	0.4664	0.5981
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0796	1
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.7387	0.7161
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.5147	0.4728
Loa Loa (eye worm)	TAR-binding protein	0.0139	0.7387	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.2832	0.3276
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.6715	0.9009
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.2305	0.312
Brugia malayi	hypothetical protein	0.0028	0.0613	0.083
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.1198	0.0437
Loa Loa (eye worm)	RNA binding protein	0.0139	0.7387	1
Brugia malayi	jmjC domain containing protein	0.0038	0.1198	0.1622
Giardia lamblia	PHD finger protein 15	0.0031	0.0796	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0796	0.027
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.2305	0.312
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.1198	0.0864
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0139	0.7387	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1884	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0053	0.2162	0.2287
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.1884	0.1182
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.7387	0.7161
Brugia malayi	MH2 domain containing protein	0.0128	0.6715	0.9091
Brugia malayi	hypothetical protein	0.0094	0.4664	0.6314
Loa Loa (eye worm)	hypothetical protein	0.0094	0.4664	0.5981
Brugia malayi	PHD-finger family protein	0.0031	0.0796	0.1077
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.1884	0.1182
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0796	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0613	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0139	0.7387	0.7161
Schistosoma mansoni	hypothetical protein	0.0181	1	1
Brugia malayi	jmjC domain containing protein	0.0102	0.5147	0.6969
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.1884	0.1182
Echinococcus multilocularis	tar DNA binding protein	0.0139	0.7387	0.7161
Brugia malayi	RNA binding protein	0.0139	0.7387	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.018 uM	DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.	ChEMBL.	No reference
IC50 (functional)	= 0.018 uM	Antitrypanosomal activity against Trypanosoma cruzi Tulahuen TcVI extracellular trypomastigotes forms transfected with beta-galactosidase gene infected in rat L6 cells assessed as inhibition of parasite growth after 4 days	ChEMBL.	23462713
IC90 (functional)	= 0.036 uM	DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Clone C4), in vitro.	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23	23462713

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: CHEMBL1862912

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 1055675