TDR Targets

Basic information

Technical information

TDR Targets ID: 330251
Name: 5-methoxy-3-(4-oxo-2-sulfanylidene-1,3-thiazo lidin-5-ylidene)-1H-indol-2-one
MW: 292.334 | Formula: C12H8N2O3S2
H donors: 2 H acceptors: 2 LogP: 1.47 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)/C(=C/1\SC(=S)NC1=O)/C(=O)N2
InChi: 1S/C12H8N2O3S2/c1-17-5-2-3-7-6(4-5)8(10(15)13-7)9-11(16)14-12(18)19-9/h2-4H,1H3,(H,13,15)(H,14,16,18)/b9-8+
InChiKey: UTIFPSGFLVZWBR-CMDGGOBGSA-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

5-methoxy-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)indolin-2-one
5-methoxy-3-(4-oxo-2-thioxo-5-thiazolidinylidene)-2-indolinone
3-(4-keto-2-thioxo-thiazolidin-5-ylidene)-5-methoxy-oxindole
TimTec1_005626
Oprea1_553579

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Plasmodium falciparum	MO15-related protein kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	cyclin-dependent kinase-related kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium yoelii	MO15-related protein kinase Pfmrk	Get druggable targets OG5_141009	All targets in OG5_141009
Babesia bovis	cyclin-dependent kinase-related kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Theileria parva	cyclin-dependent kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium knowlesi	MO15-related protein kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Neospora caninum	CAM kinase, CDPK family, putative	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium falciparum	MO15-related protein kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Cryptosporidium hominis	cyclin-dependent kinase-related kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium berghei	MO15-related protein kinase	Get druggable targets OG5_141009	All targets in OG5_141009
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	Get druggable targets OG5_141009	All targets in OG5_141009

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	MO15-related protein kinase	324 aa	313 aa	27.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	hexose transporter	0.0032	0.0404	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Echinococcus granulosus	carboxylesterase 5A	0.0426	1	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Onchocerca volvulus		0.0072	0.1378	1
Schistosoma mansoni	hypothetical protein	0.0103	0.2136	0.2136
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0404	0.5
Loa Loa (eye worm)	carboxylesterase	0.0072	0.1378	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0072	0.1378	0.1378
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0404	1
Loa Loa (eye worm)	carboxylesterase	0.0072	0.1378	0.1378
Echinococcus multilocularis	neuroligin	0.0072	0.1378	0.1378
Brugia malayi	Carboxylesterase family protein	0.0426	1	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Schistosoma mansoni	glucose transport protein	0.0103	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0426	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0135	0.2904	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0072	0.1378	0.1378
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0072	0.1378	0.1378
Brugia malayi	Carboxylesterase family protein	0.0072	0.1378	0.1378
Loa Loa (eye worm)	hypothetical protein	0.0426	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.0426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Leishmania major	glucose transporter, lmgt2	0.0032	0.0404	0.5
Schistosoma mansoni	glucose transport protein	0.0103	0.2136	0.2136
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Onchocerca volvulus		0.0072	0.1378	1
Loa Loa (eye worm)	carboxylesterase	0.0426	1	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Echinococcus granulosus	General substrate transporter	0.0089	0.1783	0.1783
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0072	0.1378	0.1378
Echinococcus granulosus	neuroligin	0.0072	0.1378	0.1378
Brugia malayi	hypothetical protein	0.0072	0.1378	0.1378
Onchocerca volvulus		0.0072	0.1378	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Trypanosoma brucei	glucose transporter 2A	0.0032	0.0404	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0426	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0072	0.1378	0.5624
Echinococcus multilocularis	para nitrobenzyl esterase	0.0072	0.1378	0.1378
Echinococcus granulosus	BC026374 protein S09 family	0.0072	0.1378	0.1378
Leishmania major	glucose transporter, lmgt3	0.0032	0.0404	0.5
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Leishmania major	glucose transporter, lmgt1	0.0032	0.0404	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0404	1
Brugia malayi	Sugar transporter family protein	0.0103	0.2136	0.2136
Onchocerca volvulus		0.0072	0.1378	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0072	0.1378	0.1378
Echinococcus multilocularis	acetylcholinesterase	0.0426	1	1
Trypanosoma cruzi	hexose transporter, putative	0.0032	0.0404	1
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0404	0.5
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0103	0.2136	0.2136
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0144	0.3136	1
Echinococcus multilocularis	General substrate transporter	0.0089	0.1783	0.1783
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0072	0.1378	0.1378
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0032	0.0404	0.5
Onchocerca volvulus		0.0072	0.1378	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0072	0.1378	0.1378
Brugia malayi	Carboxylesterase family protein	0.0072	0.1378	0.1378
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0072	0.1378	0.5
Brugia malayi	Carboxylesterase family protein	0.0072	0.1378	0.1378
Plasmodium falciparum	MO15-related protein kinase	0.0144	0.3136	1
Echinococcus granulosus	acetylcholinesterase	0.0426	1	1
Trypanosoma brucei	glucose transporter 1E	0.0032	0.0404	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0072	0.1378	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0032	0.0404	0.5
Schistosoma mansoni	glucose transport protein	0.0103	0.2136	0.2136
Loa Loa (eye worm)	sugar transporter	0.0103	0.2136	0.2136
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Trypanosoma brucei	glucose transporter, putative	0.0032	0.0404	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0072	0.1378	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0072	0.1378	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0072	0.1378	0.1378
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0072	0.1378	0.5624
Loa Loa (eye worm)	acetylcholinesterase 1	0.0426	1	1
Schistosoma mansoni	gliotactin	0.0072	0.1378	0.1378
Trichomonas vaginalis	conserved hypothetical protein	0.0103	0.2136	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0072	0.1378	0.1378
Echinococcus granulosus	acetylcholinesterase	0.0426	1	1
Schistosoma mansoni	acetylcholinesterase	0.0072	0.1378	0.1378
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0103	0.2136	0.2136
Loa Loa (eye worm)	hypothetical protein	0.0072	0.1378	0.1378
Brugia malayi	Carboxylesterase family protein	0.0072	0.1378	0.1378

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 17.1 uM	Inhibition of Plasmodium falciparum cyclin-dependent kinase	ChEMBL.	15481979
IC50 (binding)	= 17.1 uM	Inhibition of Plasmodium falciparum cyclin-dependent kinase	ChEMBL.	15481979

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 330251