Detailed information for compound 323009

Basic information

Technical information
  • TDR Targets ID: 323009
  • Name: 3-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-4-ox o-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoi c acid
  • MW: 357.404 | Formula: C17H11NO4S2
  • H donors: 2 H acceptors: 4 LogP: 3.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)C(=O)O
  • InChi: 1S/C17H11NO4S2/c19-13-6-4-10(5-7-13)8-14-15(20)18(17(23)24-14)12-3-1-2-11(9-12)16(21)22/h1-9,19H,(H,21,22)/b14-8-
  • InChiKey: WYYHOPRRRYYUIF-ZSOIEALJSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[(5Z)-5-[(4-hydroxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid
  • 3-[(5Z)-5-[(4-hydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]benzoic acid
  • 3-[(5Z)-5-(4-hydroxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid
  • 3-[5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
  • 3-[5-[(4-hydroxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid
  • 3-[5-[(4-hydroxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]benzoic acid
  • 3-[5-(4-hydroxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid

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

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis sodium and chloride dependent glycine 0.0028 0.0046 0.008
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0028 0.0046 0.008
Echinococcus granulosus serotonin transporter 0.0162 0.3692 0.6449
Onchocerca volvulus 0.0162 0.3692 0.642
Schistosoma mansoni sodium/chloride dependent transporter 0.0162 0.3692 0.642
Plasmodium vivax amine transporter, putative 0.0028 0.0046 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0162 0.3692 0.642
Toxoplasma gondii hypothetical protein 0.0028 0.0046 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0028 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.4769 0.4745
Echinococcus granulosus sodium and chloride dependent glycine 0.0028 0.0046 0.008
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0028 0.0046 0.008
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0028 0.0046 0.008
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0395 1 0.5
Leishmania major C-8 sterol isomerase-like protein 0.0395 1 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.0237 0.5725 1
Echinococcus multilocularis serotonin transporter 0.0162 0.3692 0.6449
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0237 0.5725 1
Loa Loa (eye worm) norepinephrine transporter 0.0162 0.3692 0.3663
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0046 0.5
Plasmodium falciparum transporter, putative 0.0028 0.0046 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0028 0.0046 0.008
Plasmodium falciparum amino acid transporter, putative 0.0028 0.0046 0.5
Echinococcus multilocularis vesicular acetylcholine transporter 0.0237 0.5725 1
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0162 0.3692 0.3663
Echinococcus granulosus sodium and chloride dependent glycine 0.0028 0.0046 0.008
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0028 0.0046 0.008
Echinococcus granulosus vesicular acetylcholine transporter 0.0237 0.5725 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.3692 0.3663
Loa Loa (eye worm) hypothetical protein 0.0162 0.3692 0.3663
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0028 0.0046 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.0162 0.3692 0.5
Toxoplasma gondii hypothetical protein 0.0028 0.0046 0.5
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0237 0.5725 0.5705
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0028 0.0046 0.008
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0028 0.0046 0.5
Loa Loa (eye worm) serotonin transporter b 0.0162 0.3692 0.3663
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0028 0.0046 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0395 1 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0162 0.3692 0.3663
Brugia malayi vesicular acetylcholine transporter unc-17 0.0237 0.5725 0.5705
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0028 0.0046 0.008
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0028 0.0046 0.008
Loa Loa (eye worm) hypothetical protein 0.0162 0.3692 0.3663

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 157 uM Inhibition of JNK-stimulating phosphatase-1 (JSP-1) ChEMBL. 15961311
IC50 (binding) = 157 uM Inhibition of JNK-stimulating phosphatase-1 (JSP-1) ChEMBL. 15961311
IC50 (binding) > 200 uM In vitro inhibitory concentration against VH1-related (VHR) phosphatase ChEMBL. 15961311
IC50 (binding) > 200 uM In vitro inhibitory concentration against VH1-related (VHR) phosphatase ChEMBL. 15961311

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

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.