Detailed information for compound 184131

Basic information

Technical information
  • TDR Targets ID: 184131
  • Name: [5-(2,4-dichlorobenzoyl)oxy-9,10-dioxoanthrac en-1-yl] 2,4-dichlorobenzoate
  • MW: 586.203 | Formula: C28H12Cl4O6
  • H donors: 0 H acceptors: 4 LogP: 8.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(c(c1)Cl)C(=O)Oc1cccc2c1C(=O)c1cccc(c1C2=O)OC(=O)c1ccc(cc1Cl)Cl
  • InChi: 1S/C28H12Cl4O6/c29-13-7-9-15(19(31)11-13)27(35)37-21-5-1-3-17-23(21)26(34)18-4-2-6-22(24(18)25(17)33)38-28(36)16-10-8-14(30)12-20(16)32/h1-12H
  • InChiKey: ARJAJHSSYBKTMT-UHFFFAOYSA-N  

Network

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Synonyms

  • [5-(2,4-dichlorobenzoyl)oxy-9,10-dioxo-1-anthryl] 2,4-dichlorobenzoate
  • 2,4-dichlorobenzoic acid [5-[(2,4-dichlorophenyl)-oxomethoxy]-9,10-dioxo-1-anthryl] ester
  • [5-(2,4-dichlorophenyl)carbonyloxy-9,10-dioxo-anthracen-1-yl] 2,4-dichlorobenzoate
  • 2,4-dichlorobenzoic acid [5-(2,4-dichlorobenzoyl)oxy-9,10-diketo-1-anthryl] ester

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 granulosus beta tubulin 0.0535 0.5 0.5
Giardia lamblia Beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0535 0.5 0.5
Giardia lamblia Beta tubulin 0.0535 0.5 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0535 0.5 0.5
Echinococcus multilocularis tubulin subunit beta 0.0535 0.5 0.5
Schistosoma mansoni tubulin subunit beta 0.0535 0.5 0.5
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Schistosoma mansoni tubulin subunit beta 0.0535 0.5 0.5
Giardia lamblia Beta tubulin 0.0535 0.5 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Echinococcus multilocularis tubulin beta 1 chain 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Loa Loa (eye worm) tubulin beta-1 chain 0.0535 0.5 0.5
Echinococcus multilocularis beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Brugia malayi beta-tubulin, identical 0.0535 0.5 0.5
Trypanosoma cruzi beta tubulin, putative 0.0535 0.5 0.5
Trypanosoma brucei beta tubulin 0.0535 0.5 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0535 0.5 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0535 0.5 0.5
Trypanosoma brucei beta tubulin 0.0535 0.5 0.5
Schistosoma mansoni tubulin subunit beta 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Plasmodium vivax tubulin beta chain, putative 0.0535 0.5 0.5
Toxoplasma gondii beta tubulin 0.0535 0.5 0.5
Trichomonas vaginalis tubulin alpha chain, putative 0.0535 0.5 0.5
Schistosoma mansoni tubulin subunit beta 0.0535 0.5 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Trichomonas vaginalis tubulin, putative 0.0535 0.5 0.5
Schistosoma mansoni tubulin subunit beta 0.0535 0.5 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0535 0.5 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0535 0.5 0.5
Loa Loa (eye worm) BEN-1 protein 0.0535 0.5 0.5
Trypanosoma brucei beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0535 0.5 0.5
Plasmodium falciparum tubulin beta chain 0.0535 0.5 0.5
Echinococcus granulosus tubulin subunit beta 0.0535 0.5 0.5
Entamoeba histolytica tubulin family protein 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Loa Loa (eye worm) tubulin beta chain 0.0535 0.5 0.5
Toxoplasma gondii beta-tubulin, putative 0.0535 0.5 0.5
Loa Loa (eye worm) tubulin beta-2A chain 0.0535 0.5 0.5
Trichomonas vaginalis tubulin gamma chain, putative 0.0535 0.5 0.5
Echinococcus granulosus tubulin beta 1 chain 0.0535 0.5 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0535 0.5 0.5
Loa Loa (eye worm) tubulin beta-4 chain 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Echinococcus multilocularis beta tubulin 0.0535 0.5 0.5
Loa Loa (eye worm) BEN-1 protein 0.0535 0.5 0.5
Schistosoma mansoni tubulin subunit beta 0.0535 0.5 0.5
Echinococcus granulosus beta tubulin 0.0535 0.5 0.5
Echinococcus granulosus Tubulin beta 2C chain 0.0535 0.5 0.5
Loa Loa (eye worm) beta-tubulin 0.0535 0.5 0.5
Echinococcus multilocularis Tubulin beta 2C chain 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Trypanosoma brucei beta tubulin 0.0535 0.5 0.5
Toxoplasma gondii beta-1 tubulin, putative 0.0535 0.5 0.5
Echinococcus granulosus tubulin beta 4A class IVa 0.0535 0.5 0.5
Leishmania major beta tubulin 0.0535 0.5 0.5
Entamoeba histolytica tubulin family protein 0.0535 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Relative SEAP activity (functional) = 96 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 180.0 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 96 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 180.0 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 99 % Compound was tested for cytomegalovirus or (pPCMV-SEAP) activity in immortalized hTERT-BJ1 at 1.8 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 99 % Compound was tested for cytomegalovirus or (pPCMV-SEAP) activity in immortalized hTERT-BJ1 at 1.8 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 100 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 100 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 102 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 18 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 102 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 18 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 111 % Compound was tested for cytomegalovirus or (pPCMV-SEAP) activity in immortalized hTERT-BJ1 at 18 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 111 % Compound was tested for cytomegalovirus or (pPCMV-SEAP) activity in immortalized hTERT-BJ1 at 18 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 121 % Compound was tested for cytomegalovirus or (pPCMV-SEAP) activity in immortalized hTERT-BJ1 at 180 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 121 % Compound was tested for cytomegalovirus or (pPCMV-SEAP) activity in immortalized hTERT-BJ1 at 180 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 150 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 18 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 150 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 18 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 155 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 155 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 160 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 180.0 microM concentration ChEMBL. 12852760
Relative SEAP activity (functional) = 160 % Compound was tested for human telomerase reverse transcriptase-SEAP (hTERT-SEAP) activity in immortalized hTERT-BJI at 180.0 microM concentration ChEMBL. 12852760
Relative viability (functional) = 77 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 180.0 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 77 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 180.0 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 96 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 180.0 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 96 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 180.0 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 102 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 18 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 102 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in immortalized hTERT-BJI at 18 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 103 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 18 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 103 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 18 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 105 % pPCMV-SEAP (cytomegalovirus-SEAP) activity in immortalized hTERT-BJ1 at 1.8 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 105 % pPCMV-SEAP (cytomegalovirus-SEAP) activity in immortalized hTERT-BJ1 at 18 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 105 % pPCMV-SEAP (cytomegalovirus-SEAP) activity in immortalized hTERT-BJ1 at 1.8 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 105 % pPCMV-SEAP (cytomegalovirus-SEAP) activity in immortalized hTERT-BJ1 at 18 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 107 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 107 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 108 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 108 % pPCMV-SEAP (cytomegalovirus-SEAP) activity in immortalized hTERT-BJ1 at 180 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 108 % hTERT-SEAP (Human telomerase reverse transcriptase-SEAP) activity in non-small cell lung cancer H1299 cell at 1.8 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760
Relative viability (functional) = 108 % pPCMV-SEAP (cytomegalovirus-SEAP) activity in immortalized hTERT-BJ1 at 180 microM concentration and level of cell viability determined in MTT assay ChEMBL. 12852760

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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