TDR Targets

Basic information

Technical information

TDR Targets ID: 1603189
Name: 2-(1H-Indol-3-yl)-3-(4-methoxyphenyl)-1,3-thi azolidin-4-one
MW: 324.397 | Formula: C18H16N2O2S
H donors: 1 H acceptors: 1 LogP: 3.46 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1C(=O)CSC1c1c[nH]c2c1cccc2
InChi: 1S/C18H16N2O2S/c1-22-13-8-6-12(7-9-13)20-17(21)11-23-18(20)15-10-19-16-5-3-2-4-14(15)16/h2-10,18-19H,11H2,1H3
InChiKey: VDNPCNOBJHJIAX-UHFFFAOYSA-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

2-(1H-indol-3-yl)-3-(4-methoxyphenyl)thiazolidin-4-one
2-(1H-indol-3-yl)-3-(4-methoxyphenyl)-4-thiazolidinone
NCI60_019184
AIDS-141055
AIDS141055
NSC655350

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
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0327	0.3261	1
Echinococcus multilocularis	cyclin dependent kinase	0.0145	0.1191	0.1191
Echinococcus granulosus	ring and YY1 binding protein	0.0327	0.3261	0.3261
Schistosoma mansoni	fusion	0.0327	0.3261	0.3261
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0327	0.3261	0.3261
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0327	0.3261	0.3261
Giardia lamblia	Kinase, CMGC CDK	0.0145	0.1191	1
Onchocerca volvulus		0.0327	0.3261	0.3261
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3261	0.3261
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0327	0.3261	1
Loa Loa (eye worm)	hypothetical protein	0.0273	0.2642	0.2642
Echinococcus granulosus	zinc finger protein Ran binding	0.0327	0.3261	0.3261
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3261	0.3261
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0327	0.3261	0.3261
Toxoplasma gondii	ran binding protein	0.0327	0.3261	0.235
Schistosoma mansoni	zinc finger protein	0.0327	0.3261	0.3261
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0327	0.3261	0.3261
Brugia malayi	Protein kinase domain containing protein	0.0145	0.1191	0.1191
Leishmania major	hypothetical protein, conserved	0.0327	0.3261	1
Onchocerca volvulus		0.0327	0.3261	0.3261
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.057	0.6019	0.6019
Echinococcus granulosus	cyclin dependent kinase 5	0.0145	0.1191	0.1191
Schistosoma mansoni	serine/threonine protein kinase	0.0145	0.1191	0.1191
Trypanosoma cruzi	cdc2-related kinase 1	0.0145	0.1191	0.3653
Entamoeba histolytica	cell division protein kinase 2, putative	0.0145	0.1191	1
Plasmodium falciparum	protein kinase 5	0.0145	0.1191	0.1191
Brugia malayi	brahma associated protein 60 kDa	0.092	1	1
Brugia malayi	hypothetical protein	0.0273	0.2642	0.2642
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.092	1	1
Schistosoma mansoni	hypothetical protein	0.092	1	1
Echinococcus granulosus	cyclin dependent kinase	0.0145	0.1191	0.1191
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3261	0.3261
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.092	1	1
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0145	0.1191	0.1191
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0327	0.3261	0.235
Giardia lamblia	Kinase, CMGC CDK	0.0145	0.1191	1
Leishmania major	hypothetical protein, conserved	0.0327	0.3261	1
Loa Loa (eye worm)	hypothetical protein	0.0273	0.2642	0.2642
Echinococcus multilocularis	ring and YY1 binding protein	0.0327	0.3261	0.3261
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.092	1	1
Plasmodium vivax	hypothetical protein, conserved	0.092	1	1
Echinococcus granulosus	SWI:SNF matrix associated	0.092	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.092	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0145	0.1191	0.1191
Trypanosoma cruzi	cdc2-related kinase 3	0.0145	0.1191	0.3653
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0145	0.1191	0.3653
Echinococcus multilocularis	cyclin dependent kinase 1	0.0145	0.1191	0.1191
Trypanosoma cruzi	cdc2-related kinase 1	0.0145	0.1191	0.3653
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0327	0.3261	0.3261
Trypanosoma brucei	hypothetical protein, conserved	0.0327	0.3261	1
Trypanosoma cruzi	cdc2-related kinase 3	0.0145	0.1191	0.3653
Schistosoma mansoni	RNA binding protein	0.0327	0.3261	0.3261
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1174	0.1174
Entamoeba histolytica	cell division protein kinase 2, putative	0.0145	0.1191	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.092	1	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0327	0.3261	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0327	0.3261	0.3261
Brugia malayi	YY1-associated factor 2	0.0327	0.3261	0.3261
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0145	0.1191	0.1191
Schistosoma mansoni	TRABID protein (C64 family)	0.0327	0.3261	0.3261
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.057	0.6019	0.6019
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0327	0.3261	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.092	1	1
Schistosoma mansoni	hypothetical protein	0.092	1	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3261	0.3261
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.092	1	1
Loa Loa (eye worm)	hypothetical protein	0.057	0.6019	0.6019
Onchocerca volvulus		0.0327	0.3261	0.3261
Trichomonas vaginalis	CMGC family protein kinase	0.0145	0.1191	0.1191
Trypanosoma cruzi	hypothetical protein, conserved	0.0327	0.3261	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0327	0.3261	0.3261
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0327	0.3261	1
Loa Loa (eye worm)	cyclin domain-containing protein	0.0279	0.2706	0.2706
Echinococcus granulosus	cyclin dependent kinase 1	0.0145	0.1191	0.1191
Chlamydia trachomatis	SWIB complex protein	0.092	1	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0327	0.3261	1
Leishmania major	hypothetical protein, conserved	0.0327	0.3261	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0327	0.3261	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0327	0.3261	0.3261
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.092	1	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.092	1	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0327	0.3261	1
Chlamydia trachomatis	DNA topoisomerase I	0.092	1	0.5
Trypanosoma brucei	cdc2-related kinase 1	0.0145	0.1191	0.3653
Trichomonas vaginalis	CMGC family protein kinase	0.0145	0.1191	0.1191
Schistosoma mansoni	hypothetical protein	0.092	1	1
Echinococcus multilocularis	zinc finger protein Ran binding	0.0327	0.3261	0.3261
Trypanosoma cruzi	WLM domain containing protein, putative	0.0327	0.3261	1
Leishmania major	hypothetical protein, conserved	0.0327	0.3261	1
Trichomonas vaginalis	CMGC family protein kinase	0.0145	0.1191	0.1191
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0327	0.3261	0.3261
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0279	0.2706	0.2706
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0145	0.1191	0.1191
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0327	0.3261	1
Schistosoma mansoni	hypothetical protein	0.0327	0.3261	0.3261
Echinococcus multilocularis	SWI:SNF matrix associated	0.092	1	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0327	0.3261	1
Brugia malayi	cell division control protein 2 homolog	0.0145	0.1191	0.1191
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0327	0.3261	0.3261
Leishmania major	hypothetical protein, conserved	0.0327	0.3261	1
Schistosoma mansoni	serine/threonine protein kinase	0.0145	0.1191	0.1191
Onchocerca volvulus		0.0327	0.3261	0.3261
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.057	0.6019	0.6019
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0145	0.1191	0.3653
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0145	0.1191	0.1191
Onchocerca volvulus		0.092	1	1
Loa Loa (eye worm)	brahma associated protein	0.092	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0327	0.3261	1
Echinococcus multilocularis	cyclin dependent kinase 5	0.0145	0.1191	0.1191
Echinococcus multilocularis	SWI:SNF matrix associated	0.092	1	1
Trypanosoma brucei	cdc2-related kinase 3	0.0145	0.1191	0.3653
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.092	1	1
Loa Loa (eye worm)	hypothetical protein	0.0327	0.3261	0.3261
Trichomonas vaginalis	conserved hypothetical protein	0.092	1	1
Schistosoma mansoni	brg-1 associated factor	0.092	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.627	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.453	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.303	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.286	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.278	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.157	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.053	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1983118

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1603189