Detailed information for compound 142632

Basic information

Technical information
  • TDR Targets ID: 142632
  • Name: 3-(6-chloro-1H-indol-3-yl)-2,5-dihydroxycyclo hexa-2,5-diene-1,4-dione
  • MW: 289.671 | Formula: C14H8ClNO4
  • H donors: 3 H acceptors: 4 LogP: 2.13 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)[nH]cc2C1=C(O)C(=O)C=C(C1=O)O
  • InChi: 1S/C14H8ClNO4/c15-6-1-2-7-8(5-16-9(7)3-6)12-13(19)10(17)4-11(18)14(12)20/h1-5,16-17,20H
  • InChiKey: MUHQUBNBSBFKRL-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(6-chloro-1H-indol-3-yl)-2,5-dihydroxy-1,4-benzoquinone
  • 3-(6-chloro-1H-indol-3-yl)-2,5-dihydroxy-cyclohexa-2,5-diene-1,4-dione
  • 3-(6-chloro-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 25A Starlite/ChEMBL References
Homo sapiens cell division cycle 25B Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis m-phase inducer phosphatase, putative Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus 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
Onchocerca volvulus 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 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 mitotic inducer phosphatase CDC25, putative Get druggable targets OG5_127845 All targets in OG5_127845
Onchocerca volvulus 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 cdc25b, 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
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
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 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
Trichomonas vaginalis mitotic inducer phosphatase CDC25, 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 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
Entamoeba histolytica rodhanase-like domain containing protein 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
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
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative 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
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 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

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 carboxylesterase domain containing protein, putative 0.0164 0.0322 1
Brugia malayi Carboxylesterase family protein 0.0164 0.0322 0.0322
Schistosoma mansoni neuroligin 3 (S09 family) 0.0164 0.0322 0.0322
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.0322 0.0322
Loa Loa (eye worm) acetylcholinesterase 1 0.0968 1 1
Schistosoma mansoni acetylcholinesterase 0.0164 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Echinococcus granulosus acetylcholinesterase 0.0968 1 1
Loa Loa (eye worm) carboxylesterase 0.0164 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Onchocerca volvulus 0.0164 0.0322 1
Brugia malayi hypothetical protein 0.0164 0.0322 0.0322
Echinococcus granulosus para nitrobenzyl esterase 0.0164 0.0322 0.0322
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0968 1 1
Brugia malayi Carboxylesterase family protein 0.0968 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0968 1 1
Echinococcus multilocularis acetylcholinesterase 0.0968 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Echinococcus multilocularis acetylcholinesterase 0.0968 1 1
Echinococcus granulosus carboxylesterase 5A 0.0968 1 1
Onchocerca volvulus 0.0164 0.0322 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0164 0.0322 0.0322
Schistosoma mansoni gliotactin 0.0164 0.0322 0.0322
Echinococcus granulosus neuroligin 0.0164 0.0322 0.0322
Onchocerca volvulus 0.0164 0.0322 1
Echinococcus granulosus acetylcholinesterase 0.0968 1 1
Brugia malayi Carboxylesterase family protein 0.0164 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0968 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0164 0.0322 0.0322
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Echinococcus granulosus BC026374 protein S09 family 0.0164 0.0322 0.0322
Onchocerca volvulus 0.0164 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Loa Loa (eye worm) carboxylesterase 0.0164 0.0322 0.0322
Echinococcus multilocularis neuroligin 0.0164 0.0322 0.0322
Echinococcus multilocularis BC026374 protein (S09 family) 0.0164 0.0322 0.0322
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0 0.5
Echinococcus multilocularis carboxylesterase 5A 0.0968 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0164 0.0322 0.5
Brugia malayi Carboxylesterase family protein 0.0164 0.0322 0.0322
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0164 0.0322 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0164 0.0322 0.0322
Mycobacterium tuberculosis Carboxylesterase LipT 0.0164 0.0322 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.0164 0.0322 0.0322
Trichomonas vaginalis spcc417.12 protein, putative 0.0164 0.0322 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0164 0.0322 0.5
Entamoeba histolytica rodhanase-like domain containing protein 0.0137 0 0.5
Onchocerca volvulus 0.0164 0.0322 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.0322 0.0322
Brugia malayi Carboxylesterase family protein 0.0164 0.0322 0.0322
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0164 0.0322 0.0322
Loa Loa (eye worm) carboxylesterase 0.0968 1 1

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 25A was determined ChEMBL. 12801222
IC50 (binding) = 14 uM Eight point inhibitory concentration against Cell division cycle 25B was determined ChEMBL. 12801222
IC50 (binding) = 14 uM Eight point inhibitory concentration against Cell division cycle 25B was determined ChEMBL. 12801222
IC50 (binding) = 40 uM Eight point inhibitory concentration against Cell division cycle 25 degree C was determined ChEMBL. 12801222
IC50 (binding) = 40 uM Eight point inhibitory concentration against Cell division cycle 25 degree C was determined ChEMBL. 12801222
Inhibition (binding) = 81 % Percent inhibition of cell division cycle 25 degree C at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 81 % Percent inhibition of cell division cycle 25 degree C at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 92 % Percent inhibition of cell division cycle 25B at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 92 % Percent inhibition of cell division cycle 25B at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 100 % Percent inhibition of cell division cycle 25A at 50 microM. ChEMBL. 12801222
Inhibition (binding) = 100 % 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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