Detailed information for compound 183519

Basic information

Technical information
  • TDR Targets ID: 183519
  • Name: (5Z)-5-[[4-[(2,5,7,8-tetramethyl-6-phenylmeth oxy-3,4-dihydrochromen-2-yl)methoxy]phenyl]me thylidene]-1,3-thiazolidine-2,4-dione
  • MW: 529.647 | Formula: C31H31NO5S
  • H donors: 1 H acceptors: 2 LogP: 7.03 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C1NC(=O)/C(=C/c2ccc(cc2)OCC2(C)CCc3c(O2)c(C)c(c(c3C)OCc2ccccc2)C)/S1
  • InChi: 1S/C31H31NO5S/c1-19-20(2)28-25(21(3)27(19)35-17-23-8-6-5-7-9-23)14-15-31(4,37-28)18-36-24-12-10-22(11-13-24)16-26-29(33)32-30(34)38-26/h5-13,16H,14-15,17-18H2,1-4H3,(H,32,33,34)/b26-16-
  • InChiKey: PNFBECCMNQTCOM-QQXSKIMKSA-N  

Network

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Synonyms

  • (5Z)-5-[[4-[(6-benzyloxy-2,5,7,8-tetramethyl-chroman-2-yl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[[4-[(6-benzyloxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy]phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[4-[(6-benzoxy-2,5,7,8-tetramethyl-chroman-2-yl)methoxy]benzylidene]thiazolidine-2,4-quinone
  • (5Z)-5-[[4-[[2,5,7,8-tetramethyl-6-(phenylmethoxy)chroman-2-yl]methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
  • (5Z)-5-[[4-[[2,5,7,8-tetramethyl-6-(phenylmethoxy)chroman-2-yl]methoxy]phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[[4-[[2,5,7,8-tetramethyl-6-(phenylmethoxy)-2-chromanyl]methoxy]phenyl]methylene]thiazolidine-2,4-dione
  • (5Z)-5-[4-[[6-(benzyloxy)-2,5,7,8-tetramethyl-chroman-2-yl]methoxy]benzylidene]thiazolidine-2,4-quinone

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
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Loa Loa (eye worm) C2 domain-containing protein 0.0031 0 0.5
Trypanosoma cruzi cytoskeleton associated protein, putative 0.0031 0 0.5
Trypanosoma brucei predicted C2 domain protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Schistosoma mansoni hypothetical protein 0.0108 1 1
Trypanosoma brucei C2 domain containing protein, putative 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Leishmania major copine i-like protein 0.0031 0 0.5
Brugia malayi Phosphatidylinositol-specific phospholipase C, X domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Loa Loa (eye worm) C2 domain-containing protein 0.0031 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3-kinase catalytic subunit gamma 0.0031 0 0.5
Trypanosoma brucei synaptotagmin, putative 0.0031 0 0.5
Trypanosoma cruzi synaptotagmin, putative 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Trichomonas vaginalis copine, putative 0.0031 0 0.5
Trichomonas vaginalis Circumsporozoite protein precursor, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Brugia malayi phospholipase C homolog 0.0031 0 0.5
Trypanosoma cruzi C2 domain/Ankyrin repeats (3 copies), putative 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Trypanosoma cruzi phosphoinositide-specific phospholipase C, putative 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Brugia malayi NEDD4.2 0.0031 0 0.5
Trichomonas vaginalis annexin VII, putative 0.0031 0 0.5
Entamoeba histolytica Rap/Ran GTPase activating protein, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Brugia malayi Protein kinase c protein 2 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trypanosoma brucei Coiled-coil and C2 domain-containing protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) synaptotagmin-1 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) phosphatidylinositol-specific phospholipase C 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin 1,2, putative 0.0031 0 0.5
Toxoplasma gondii MAC/Perforin domain-containing protein 0.0108 1 1
Echinococcus multilocularis macrophage expressed protein 0.0108 1 1
Loa Loa (eye worm) C2 domain-containing protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Entamoeba histolytica protein kinase, putative 0.0031 0 0.5
Trypanosoma cruzi cytoskeleton associated protein, putative 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0031 0 0.5
Trichomonas vaginalis Proline-rich protein, putative 0.0031 0 0.5
Plasmodium falciparum perforin-like protein 2 0.0108 1 1
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin 1, 3, C.elegans, putative 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Entamoeba histolytica protein kinase, putative 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) copine family protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trypanosoma cruzi synaptotagmin, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis vab10 spectraplakin, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trypanosoma brucei C2 domain containing protein, putative 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Leishmania major c2 domain protein, putative 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin 1,2, putative 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Trypanosoma brucei C2 domain/Ankyrin repeats (3 copies), putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) C2 domain-containing protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) C2 domain-containing protein 0.0031 0 0.5
Toxoplasma gondii perforin-like protein PLP1 0.0108 1 1
Brugia malayi Variant SH3 domain containing protein 0.0031 0 0.5
Trypanosoma cruzi cAMP binding protein, putative 0.0031 0 0.5
Plasmodium falciparum perforin-like protein 1 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Brugia malayi Copine VIII 0.0031 0 0.5
Plasmodium vivax perforin-like protein 2 0.0108 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0031 0 0.5
Plasmodium vivax perforin-like protein 1 0.0108 1 1
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin 1,2, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Plasmodium vivax perforin-like protein 4 0.0108 1 1
Brugia malayi LD23056p 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis ion channel nompc, putative 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Leishmania major hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis calcium-dependent lipid-binding protein, putative 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis copine, putative 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Echinococcus granulosus macrophage expressed protein 0.0108 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin 1, 3, C.elegans, putative 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Entamoeba histolytica calcium-binding protein, putative 0.0031 0 0.5
Plasmodium vivax perforin-like protein 5 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trypanosoma brucei C2 domain containing protein, putative 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Trypanosoma brucei C2 domain containing protein, putative 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Entamoeba histolytica DENN domain protein 0.0031 0 0.5
Trichomonas vaginalis copine, putative 0.0031 0 0.5
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis copine, putative 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi WW domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Trypanosoma brucei phosphoinositide-specific phospholipase C 0.0031 0 0.5
Brugia malayi Synapse defective protein 1 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0031 0 0.5
Onchocerca volvulus Multiple C2 domain and transmembrane region protein homolog 0.0031 0 0.5
Trichomonas vaginalis synaptotagmin, putative 0.0031 0 0.5
Brugia malayi Synaptotagmin I 0.0031 0 0.5
Brugia malayi protein kinase C II. 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi calpain 5 0.0031 0 0.5
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Trypanosoma brucei predicted C2 domain protein 0.0031 0 0.5
Trypanosoma cruzi Coiled-coil and C2 domain-containing protein 0.0031 0 0.5
Trypanosoma brucei predicted C2 domain protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Leishmania major phospholipase c-like protein 0.0031 0 0.5
Trypanosoma brucei cAMP binding protein, putative 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Plasmodium falciparum perforin-like protein 5 0.0108 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Plasmodium falciparum perforin-like protein 3 0.0108 1 1
Entamoeba histolytica hypothetical protein 0.0031 0 0.5
Brugia malayi Synapse defective protein 1 0.0031 0 0.5
Onchocerca volvulus Putative cc2d1b protein 0.0031 0 0.5
Entamoeba histolytica C2 domain protein, putative 0.0031 0 0.5
Brugia malayi Synaptotagmin protein 3 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) C2 domain-containing protein 0.0031 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Plasmodium vivax perforin-like protein 3 0.0108 1 1
Onchocerca volvulus 0.0031 0 0.5
Plasmodium falciparum perforin-like protein 4 0.0108 1 1
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Trypanosoma cruzi C2 domain containing protein, putative 0.0031 0 0.5
Loa Loa (eye worm) Nedd4-PD 0.0031 0 0.5
Trichomonas vaginalis splicing factor 3A subunit, putative 0.0031 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Leishmania major c2 domain protein, putative 0.0031 0 0.5
Entamoeba histolytica C2 domain containing protein 0.0031 0 0.5
Brugia malayi Copine family protein 0.0031 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0 0.5
Brugia malayi C2 domain containing protein 0.0031 0 0.5
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0031 0 0.5
Trichomonas vaginalis copine, putative 0.0031 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 12 % Repression of cyclinD1 level in MCF7 cells at 7.5 uM relative to control ChEMBL. 16854074
Activity (functional) = 12 % Repression of cyclinD1 level in MCF7 cells at 7.5 uM relative to control ChEMBL. 16854074
Activity (functional) = 42 % Repression of cyclinD1 level in MCF7 cells at 5 uM relative to control ChEMBL. 16854074
Activity (functional) = 42 % Repression of cyclinD1 level in MCF7 cells at 5 uM relative to control ChEMBL. 16854074
Activity (functional) = 85 % Repression of cyclinD1 level in MCF7 cells at 2.5 uM relative to control ChEMBL. 16854074
Activity (functional) = 85 % Repression of cyclinD1 level in MCF7 cells at 2.5 uM relative to control ChEMBL. 16854074
AUC (ADMET) = 14.4 ug hr-1 ml-1 The AUC(0-t)value of the compound in female wistar rat at 100 mg/kg, p.o. dose ChEMBL. 10464013
AUC (ADMET) = 18.5 ug hr-1 ml-1 The AUC(0-infinitive)value of the compound in female wistar rat at 100 mg/kg, p.o. dose ChEMBL. 10464013
Cmax (ADMET) = 1.09 ug ml-1 The Cmax value of the compound in female wistar rat at 100 mg/kg, p.o. dose ChEMBL. 10464013
Fold activation (binding) = 0.57 Fold activation of the compound against Peroxisome proliferator activated receptor gamma (1 uM) ChEMBL. 10464013
Fold activation (binding) = 0.67 Fold activation of the compound against Peroxisome proliferator activated receptor alpha (50 uM) ChEMBL. 10464013
Fold activation (binding) = 0.57 Fold activation of the compound against Peroxisome proliferator activated receptor gamma (1 uM) ChEMBL. 10464013
Fold activation (binding) = 0.67 Fold activation of the compound against Peroxisome proliferator activated receptor alpha (50 uM) ChEMBL. 10464013
Kel (ADMET) = 0.07 hr-1 The Kel value of the compound in female wistar rat at 100 mg/kg, p.o. dose ChEMBL. 10464013
Reduction (functional) = 38 % The compound was tested for percent reduction in plasma triglyceride after 6 days of treatment at a dose of 100 mg/kg/day (oral gavage) in mice ChEMBL. 10464013
Reduction (functional) = 38 % The compound was tested for percent reduction in plasma triglyceride after 6 days of treatment at a dose of 100 mg/kg/day (oral gavage) in mice ChEMBL. 10464013
Reduction (functional) = 39 % The compound was tested for percent reduction in plasma glucose after 6 days of treatment at a dose of 100 mg/kg/day (oral gavage) in mice ChEMBL. 10464013
Reduction (functional) = 39 % The compound was tested for percent reduction in plasma glucose after 6 days of treatment at a dose of 100 mg/kg/day (oral gavage) in mice ChEMBL. 10464013
T max (ADMET) = 4.33 hr The Tmax value of the compound in female wistar rat at 100 mg/kg, p.o. dose ChEMBL. 10464013
T1/2 (ADMET) = 10.36 hr The half life value of the compound in female wistar rat at 100 mg/kg, p.o. dose ChEMBL. 10464013

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

2 literature references were collected for this gene.

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