Detailed information for compound 143560

Basic information

Technical information
  • TDR Targets ID: 143560
  • Name: 2,5-dihydroxy-3-(7-phenylmethoxy-1H-indol-3-y l)cyclohexa-2,5-diene-1,4-dione
  • MW: 361.348 | Formula: C21H15NO5
  • H donors: 3 H acceptors: 4 LogP: 2.97 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1=CC(=O)C(=C(C1=O)c1c[nH]c2c1cccc2OCc1ccccc1)O
  • InChi: 1S/C21H15NO5/c23-15-9-16(24)21(26)18(20(15)25)14-10-22-19-13(14)7-4-8-17(19)27-11-12-5-2-1-3-6-12/h1-10,22-23,26H,11H2
  • InChiKey: QSNGRLIXHGUKJX-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(7-benzyloxy-1H-indol-3-yl)-2,5-dihydroxy-1,4-benzoquinone
  • 3-(7-benzoxy-1H-indol-3-yl)-2,5-dihydroxy-p-benzoquinone
  • 2,5-dihydroxy-3-[7-(phenylmethoxy)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
  • 2,5-dihydroxy-3-[7-(phenylmethoxy)-1H-indol-3-yl]-1,4-benzoquinone
  • 3-[7-(benzyloxy)-1H-indol-3-yl]-2,5-dihydroxy-p-benzoquinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cell division cycle 25B Starlite/ChEMBL References
Homo sapiens cell division cycle 25C Starlite/ChEMBL References
Homo sapiens cell division cycle 25A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Rhodanese-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Echinococcus multilocularis m phase inducer phosphatase(cdc25) Get druggable targets OG5_127845 All targets in OG5_127845
Candida albicans similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. cerevisiae MIH1 (YMR036C) Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_127845 All targets in OG5_127845
Echinococcus granulosus m phase inducer phosphatasecdc25 Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25b, putative Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25c, putative Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis cdc25b, putative Get druggable targets OG5_127845 All targets in OG5_127845
Brugia malayi Rhodanese-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Schistosoma mansoni m-phase inducer phosphatase(cdc25) Get druggable targets OG5_127845 All targets in OG5_127845
Candida albicans almost identical to C terminus of CaP19.3071, which is similar to A.nidulans mitotic inducer phosphatase NIMT/CDC25 and to S. ce Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Entamoeba histolytica rodhanase-like domain containing protein Get druggable targets OG5_127845 All targets in OG5_127845
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus Get druggable targets OG5_127845 All targets in OG5_127845

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
Loa Loa (eye worm) hypothetical protein 0.0189 0.0451 0.0554
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0205 0.0611 0.0611
Trichomonas vaginalis cdc25c, putative 0.0205 0.0611 0.5
Entamoeba histolytica rodhanase-like domain containing protein 0.0205 0.0611 0.5
Brugia malayi Protein kinase domain containing protein 0.0154 0.0098 0.012
Loa Loa (eye worm) hypothetical protein 0.0154 0.0098 0.012
Schistosoma mansoni hypothetical protein 0.0154 0.0098 0.0098
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0962 0.8142 1
Onchocerca volvulus 0.0205 0.0611 0.059
Brugia malayi Kringle domain containing protein 0.0154 0.0098 0.012
Trichomonas vaginalis cdc25b, putative 0.0205 0.0611 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0154 0.0098 0.5
Leishmania major hypothetical protein, conserved 0.0154 0.0098 0.5
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0205 0.0611 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1026 0.8783 1
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0205 0.0611 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0154 0.0098 0.012
Schistosoma mansoni retinoic acid receptor RXR 0.1148 1 1
Onchocerca volvulus 0.0205 0.0611 0.059
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0154 0.0098 0.5
Loa Loa (eye worm) hypothetical protein 0.0205 0.0611 0.075
Plasmodium falciparum cysteine repeat modular protein 1 0.0154 0.0098 0.5
Echinococcus granulosus tissue type plasminogen activator 0.0154 0.0098 0.0098
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0205 0.0611 0.0611
Echinococcus multilocularis tissue type plasminogen activator 0.0154 0.0098 0.0104
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0205 0.0611 0.5
Loa Loa (eye worm) hypothetical protein 0.0904 0.7569 0.9297
Brugia malayi nuclear hormone receptor 0.0962 0.8142 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.0611 0.075
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1084 0.9359 1
Brugia malayi Rhodanese-like domain containing protein 0.0205 0.0611 0.075
Entamoeba histolytica rodhanase-like domain containing protein 0.0205 0.0611 0.5
Trichomonas vaginalis cdc25b, putative 0.0205 0.0611 0.5
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0205 0.0611 0.5
Onchocerca volvulus 0.0205 0.0611 0.059
Entamoeba histolytica rodhanase-like domain containing protein 0.0205 0.0611 0.5
Brugia malayi Rhodanese-like domain containing protein 0.0205 0.0611 0.075
Toxoplasma gondii kringle domain-containing protein 0.0154 0.0098 0.5
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0205 0.0611 0.0652
Onchocerca volvulus 0.0205 0.0611 0.059
Loa Loa (eye worm) hypothetical protein 0.0189 0.0451 0.0554
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0205 0.0611 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.2 uM Eight point inhibitory concentration against Cell division cycle 25A was determined ChEMBL. 12801222
IC50 (binding) = 4.2 uM Eight point inhibitory concentration against Cell division cycle 25B was determined ChEMBL. 12801222
IC50 (binding) = 4.2 uM Eight point inhibitory concentration against Cell division cycle 25A was determined ChEMBL. 12801222
IC50 (binding) = 4.2 uM Eight point inhibitory concentration against Cell division cycle 25B was determined ChEMBL. 12801222
IC50 (binding) = 6.9 uM Eight point inhibitory concentration against Cell division cycle 25 degree C was determined ChEMBL. 12801222
IC50 (binding) = 6.9 uM Eight point inhibitory concentration against Cell division cycle 25 degree C was determined ChEMBL. 12801222
Inhibition (binding) = 85 % Percent inhibition of cell division cycle 25 degree C at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 85 % Percent inhibition of cell division cycle 25 degree C at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 97 % Percent inhibition of cell division cycle 25B at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 97 % Percent inhibition of cell division cycle 25B at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 98 % Percent inhibition of cell division cycle 25A at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 98 % Percent inhibition of cell division cycle 25A at 50 microM. ChEMBL. 12801222

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.

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