TDR Targets

Basic information

Technical information

TDR Targets ID: 1847681
Name: N-[(3Z)-2-oxo-3-[phenyl-(phenylamino)methylid ene]-1H-indol-5-yl]ethanesulfonamide
MW: 419.496 | Formula: C23H21N3O3S
H donors: 3 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCS(=O)(=O)Nc1ccc2c(c1)/C(=C(\c1ccccc1)/Nc1ccccc1)/C(=O)N2
InChi: 1S/C23H21N3O3S/c1-2-30(28,29)26-18-13-14-20-19(15-18)21(23(27)25-20)22(16-9-5-3-6-10-16)24-17-11-7-4-8-12-17/h3-15,24,26H,2H2,1H3,(H,25,27)/b22-21-
InChiKey: DSRISRHCDDTNLC-DQRAZIAOSA-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

N-[(3Z)-2-oxo-3-[phenyl-(phenylamino)methylene]indolin-5-yl]ethanesulfonamide
N-[(3Z)-2-oxo-3-[phenyl-(phenylamino)methylene]-5-indolinyl]ethanesulfonamide
N-[(3Z)-2-keto-3-[phenyl-(phenylamino)methylene]indolin-5-yl]ethanesulfonamide

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0024	1	1
Echinococcus multilocularis	serine protein kinase ATM	0.0024	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0024	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.4987	0.4987
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.5013	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Giardia lamblia	GTOR	0.0018	0.4987	0.5
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.4987	0.4987
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.4987	0.4987
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.5013	0.0052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.4987	0.6723
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Echinococcus granulosus	serine protein kinase ATM	0.0024	1	1
Entamoeba histolytica	hypothetical protein	0.0024	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Loa Loa (eye worm)	hypothetical protein	0.0021	0.7418	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.4987	0.6723
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.4987	0.4987
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0024	1	1
Toxoplasma gondii	FATC domain-containing protein	0.0024	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.7418	0.4849
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.4987	0.4987

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.143 uM	Antiprotozoal activity against chloroquine-resistant Plasmodium falciparum W2 assessed as growth inhibition after 72 hrs by SYBR Green dye-based fluorescence assay	ChEMBL.	24910766
EC50 (functional)	= 1.44 uM	Antiprotozoal activity against Trypanosoma brucei 427 assessed as growth inhibition after 48 hrs by PrestoBlue-based fluorescence assay	ChEMBL.	24910766
EC50 (functional)	> 4 uM	Antiprotozoal activity against intracellular amastigote stage of Leishmania major infected in mouse RAW246.7 cells assessed as growth inhibition after 96 hrs by luciferase reporter gene assay	ChEMBL.	24910766
EC50 (functional)	> 50 uM	Antiprotozoal activity against Trypanosoma cruzi expressing beta-galactosidase infected in mouse 3T3 cells assessed as growth inhibition after 96 hrs	ChEMBL.	24910766
TC50 (ADMET)	= 4.7 uM	Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay	ChEMBL.	24910766

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference
Plasmodium falciparum	ChEMBL23	24910766
Leishmania major	ChEMBL23	24910766
Trypanosoma brucei	ChEMBL23	24910766
Trypanosoma brucei gambiense		24910766

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: CHEMBL3134093

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 1847681