Detailed information for compound 1404481

Basic information

Technical information
  • TDR Targets ID: 1404481
  • Name: 3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiaz olidin-4-one
  • MW: 225.287 | Formula: C9H7NO2S2
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)N1C(=S)SCC1=O
  • InChi: 1S/C9H7NO2S2/c11-7-3-1-2-6(4-7)10-8(12)5-14-9(10)13/h1-4,11H,5H2
  • InChiKey: MOOHYYNHIDAVIG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(3-hydroxyphenyl)-2-thioxo-thiazolidin-4-one
  • 3-(3-hydroxyphenyl)-2-thioxo-4-thiazolidinone
  • 23517-76-2
  • IDI1_008835
  • ZINC00966854
  • Oprea1_409480
  • 3-(m-Hydroxyphenyl)rhodanine
  • IFLab1_000616
  • SBB015177
  • Oprea1_499651
  • Rhodanine, 3-(m-hydroxyphenyl)-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni aldo-keto reductase 0.0191 0.36 0.36
Schistosoma mansoni potassium channel beta 0.0191 0.36 0.36
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Trichomonas vaginalis conserved hypothetical protein 0.0191 0.36 1
Giardia lamblia Aldose reductase 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0191 0.36 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0191 0.36 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0191 0.36 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Onchocerca volvulus 0.0191 0.36 1
Loa Loa (eye worm) oxidoreductase 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0118 0.2035 0.5652
Loa Loa (eye worm) oxidoreductase 0.0191 0.36 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0191 0.36 1
Entamoeba histolytica alcohol dehydrogenase, putative 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Loa Loa (eye worm) oxidoreductase 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Onchocerca volvulus 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0082 0.0228
Echinococcus multilocularis peroxidasin 0.0027 0.0082 0.0228
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0191 0.36 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0191 0.36 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0191 0.36 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0191 0.36 1
Toxoplasma gondii aldose reductase, putative 0.0191 0.36 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0191 0.36 1
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0082 0.0228
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0191 0.36 1
Mycobacterium ulcerans oxidoreductase 0.0191 0.36 1
Echinococcus granulosus hypothetical protein 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Trypanosoma brucei aldo/keto reductase, putative 0.0191 0.36 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase 0.0191 0.36 1
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0112 0.1905 0.5292
Echinococcus granulosus microsomal glutathione S transferase 3 0.0112 0.1905 0.5292
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Schistosoma mansoni aldo-keto reductase 0.0191 0.36 0.36
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Trypanosoma brucei prostaglandin f synthase 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Schistosoma mansoni peroxidasin 0.0027 0.0082 0.0082
Echinococcus granulosus peroxidasin 0.0027 0.0082 0.0228
Entamoeba histolytica alcohol dehydrogenase, putative 0.0191 0.36 1
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0082 0.0228
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Brugia malayi Peroxidasin 0.0027 0.0082 0.0228
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0118 0.2035 0.5652
Echinococcus multilocularis aldo keto reductase 0.0191 0.36 1
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Brugia malayi Blistered cuticle protein 3 0.0027 0.0082 0.0228
Entamoeba histolytica aldose reductase, putative 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Schistosoma mansoni microsomal glutathione s-transferase 0.0112 0.1905 0.1905
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0082 0.0228
Entamoeba histolytica aldose reductase, putative 0.0191 0.36 1
Entamoeba histolytica aldose reductase, putative 0.0191 0.36 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0191 0.36 1
Mycobacterium ulcerans hypothetical protein 0.0191 0.36 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Schistosoma mansoni peroxidasin 0.0027 0.0082 0.0082
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0082 0.0228
Echinococcus multilocularis aldo keto reductase 0.0191 0.36 1
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0082 0.0228
Leishmania major prostaglandin f synthase, putative 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Echinococcus granulosus aldo keto reductase 0.0191 0.36 1
Brugia malayi NADH-dependent xylose reductase 0.0191 0.36 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Schistosoma mansoni lipoxygenase 0.0082 0.1272 0.1272
Onchocerca volvulus 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.36 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0191 0.36 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.0082 0.0228
Giardia lamblia Aldose reductase 0.0191 0.36 1
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0082 0.0228
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0191 0.36 1
Plasmodium falciparum aldehyde reductase, putative 0.0191 0.36 0.5
Plasmodium vivax aldehyde reductase, putative 0.0191 0.36 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0191 0.36 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Onchocerca volvulus 0.0191 0.36 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Toxoplasma gondii aldo-keto reductase 0.0191 0.36 1
Mycobacterium leprae Possible oxidoreductase 0.0191 0.36 0.5
Onchocerca volvulus 0.0191 0.36 1
Leishmania major aldo-keto reductase-like protein 0.0191 0.36 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0191 0.36 1
Onchocerca volvulus 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Mycobacterium tuberculosis Conserved protein 0.0191 0.36 1
Loa Loa (eye worm) oxidoreductase 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase 0.0191 0.36 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0082 0.0228
Trichomonas vaginalis aldo-keto reductase, putative 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0082 0.0228
Trypanosoma cruzi aldo-keto reductase 0.0191 0.36 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0191 0.36 1
Brugia malayi hypothetical protein 0.0027 0.0082 0.0228
Schistosoma mansoni pol-related 0.0191 0.36 0.36
Onchocerca volvulus 0.0191 0.36 1
Trypanosoma brucei aldo-keto reductase, putative 0.0191 0.36 1
Schistosoma mansoni lipoxygenase 0.0118 0.2035 0.2035
Echinococcus granulosus aldo keto reductase 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Loa Loa (eye worm) hypothetical protein 0.0027 0.0082 0.0228
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0191 0.36 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0191 0.36 1
Loa Loa (eye worm) oxidoreductase 0.0191 0.36 1
Echinococcus multilocularis aldo keto reductase 0.0191 0.36 1
Plasmodium falciparum aldo-keto reductase, putative 0.0191 0.36 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0191 0.36 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

Bibliographic References

No literature references available for this target.

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