Detailed information for compound 870187

Basic information

Technical information
  • TDR Targets ID: 870187
  • Name: 1,4-bis(butylamino)anthracene-9,10-dione
  • MW: 350.454 | Formula: C22H26N2O2
  • H donors: 2 H acceptors: 2 LogP: 6.44 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNc1ccc(c2c1C(=O)c1c(C2=O)cccc1)NCCCC
  • InChi: 1S/C22H26N2O2/c1-3-5-13-23-17-11-12-18(24-14-6-4-2)20-19(17)21(25)15-9-7-8-10-16(15)22(20)26/h7-12,23-24H,3-6,13-14H2,1-2H3
  • InChiKey: OCQDPIXQTSYZJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,4-bis(butylamino)-9,10-anthraquinone
  • 100041-53-0
  • 12769-17-4
  • 17354-14-2
  • 68943-45-3
  • 71060-87-2
  • 1,4-Bis(butylamino)anthraquinone
  • 1,4-Bis(n-butylamino)-9,10-anthracenedione
  • 1,4-Di(butylamino)-9,10-anthracenedione
  • 9,10-Anthracenedione, 1,4-bis(butylamino)-
  • 9,10-Anthracenedione, 1,4-di(butylamino)-
  • Anthraquinone, 1,4-bis(butylamino)-
  • C.I. Solvent Blue 35
  • CI 61554
  • EINECS 241-379-4
  • Solvent blue 35
  • EU-0066568
  • 306436_SIAL
  • Sudan Blue II

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens jun proto-oncogene Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Basic leucine zipper bZIP transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus granulosus jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131442 All targets in OG5_131442
Brugia malayi bZIP transcription factor family protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis jun protein Get druggable targets OG5_131442 All targets in OG5_131442
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor Get druggable targets OG5_131442 All targets in OG5_131442
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 Basic leucine zipper bZIP transcription factor 0.0101 0.016 0.0924
Toxoplasma gondii histone deacetylase HDAC3 0.0727 0.1737 1
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0051 0.0033 0.0083
Trypanosoma brucei UDP-galactose 4-epimerase 0.0049 0.0028 0.0057
Loa Loa (eye worm) histone deacetylase 0.0577 0.1361 0.7834
Echinococcus multilocularis histone deacetylase 6 0.0577 0.1361 0.7834
Plasmodium vivax histone deacetylase, putative 0.0305 0.0674 0.3814
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0033 0.0083
Brugia malayi histone deacetylase 1 (HD1) 0.0727 0.1737 1
Toxoplasma gondii UDP-glucose 4-epimerase 0.0051 0.0033 0.0083
Trypanosoma brucei histone deacetylase 4 0.0577 0.1361 0.7811
Trichomonas vaginalis histone deacetylase, putative 0.0727 0.1737 1
Trypanosoma brucei histone deacetylase, putative 0.0577 0.1361 0.7811
Loa Loa (eye worm) histone deacetylase 3 0.0727 0.1737 1
Brugia malayi hypothetical protein 0.008 0.0105 0.0607
Brugia malayi histone deacetylase 3 (HD3) 0.0727 0.1737 1
Echinococcus granulosus histone deacetylase 3 0.0727 0.1737 1
Loa Loa (eye worm) hypothetical protein 0.0305 0.0674 0.3879
Echinococcus granulosus histone deacetylase 1 0.0727 0.1737 1
Plasmodium falciparum histone deacetylase, putative 0.0577 0.1361 0.7811
Brugia malayi Histone deacetylase 1 0.0727 0.1737 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0045 0.0018 0.0105
Trypanosoma brucei histone deacetylase 2 0.0305 0.0674 0.3814
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0051 0.0033 0.0083
Giardia lamblia Histone deacetylase 0.0727 0.1737 1
Plasmodium vivax histone deacetylase 1, putative 0.0727 0.1737 1
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0045 0.0018 0.0105
Echinococcus multilocularis histone deacetylase 1 0.0727 0.1737 1
Loa Loa (eye worm) histone deacetylase 7A 0.0577 0.1361 0.7834
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0051 0.0033 0.0188
Onchocerca volvulus Histone deacetylase 10 homolog 0.0305 0.0674 1
Leishmania major histone deacetylase, putative 0.0577 0.1361 0.7811
Schistosoma mansoni histone deacetylase 0.0727 0.1737 1
Trypanosoma cruzi histone deacetylase, putative 0.0577 0.1361 0.7811
Echinococcus multilocularis histone deacetylase 6 0.0609 0.144 0.8293
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0114 0.0557
Loa Loa (eye worm) hypothetical protein 0.0099 0.0153 0.0883
Leishmania major udp-glc 4-epimerase, putative 0.0049 0.0028 0.0057
Toxoplasma gondii histone deacetylase HDAC5 0.0305 0.0674 0.3814
Echinococcus granulosus histone deacetylase 6 0.0577 0.1361 0.7834
Leishmania major histone deacetylase, putative 0.0577 0.1361 0.7811
Schistosoma mansoni jun-related protein 0.0082 0.0112 0.0648
Brugia malayi histone deacetylase 11 0.0305 0.0674 0.3879
Echinococcus multilocularis histone deacetylase 3 0.0727 0.1737 1
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0045 0.0018 0.0105
Toxoplasma gondii histone deacetylase HDAC1 0.0577 0.1361 0.7811
Entamoeba histolytica histone deacetylase, putative 0.0727 0.1737 1
Trypanosoma cruzi histone deacetylase, putative 0.0577 0.1361 0.7811
Giardia lamblia UDP-glucose 4-epimerase 0.0049 0.0028 0.0057
Echinococcus multilocularis histone deacetylase 8 0.0305 0.0674 0.3879
Echinococcus granulosus histone deacetylase 8 0.0305 0.0674 0.3879
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0101 0.016 0.0924
Loa Loa (eye worm) histone deacetylase 1 0.0727 0.1737 1
Schistosoma mansoni UDP-glucose 4-epimerase 0.0051 0.0033 0.0188
Schistosoma mansoni histone deacetylase hda2 0.0609 0.144 0.8293
Schistosoma mansoni histone deacetylase 4 5 0.0577 0.1361 0.7834
Trypanosoma cruzi histone deacetylase, putative 0.0305 0.0674 0.3814
Loa Loa (eye worm) hypothetical protein 0.0272 0.0592 0.3407
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0051 0.0033 0.0083
Echinococcus granulosus UDP glucose 4 epimerase 0.0051 0.0033 0.0188
Trypanosoma brucei histone deacetylase 1 0.0727 0.1737 1
Leishmania major histone deacetylase, putative 0.0727 0.1737 1
Brugia malayi UDP galactose 4'-epimerase 0.0051 0.0033 0.0188
Echinococcus granulosus histone deacetylase 0.0577 0.1361 0.7834
Echinococcus granulosus histone deacetylase 6 0.0609 0.144 0.8293
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0051 0.0033 0.0083
Trypanosoma cruzi histone deacetylase 1, putative 0.0727 0.1737 1
Echinococcus granulosus histone deacetylase 6 0.0577 0.1361 0.7834
Schistosoma mansoni hypothetical protein 0.0082 0.0112 0.0648
Trichomonas vaginalis histone deacetylase, putative 0.0727 0.1737 1
Toxoplasma gondii histone deacetylase HDAC2 0.0727 0.1737 1
Trypanosoma cruzi histone deacetylase, putative 0.0305 0.0674 0.3814
Trichomonas vaginalis histone deacetylase, putative 0.0727 0.1737 1
Leishmania major histone deacetylase, putative 0.0727 0.1737 1
Schistosoma mansoni histone deacetylase 0.0727 0.1737 1
Trypanosoma brucei histone deacetylase 3 0.0577 0.1361 0.7811
Loa Loa (eye worm) histone deacetylase 11 0.0305 0.0674 0.3879
Schistosoma mansoni histone deacetylase hda2 0.0305 0.0674 0.3879
Plasmodium vivax histone deacetylase 2, putative 0.0577 0.1361 0.7811
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0045 0.0018 0.0105
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0727 0.1737 1
Plasmodium falciparum histone deacetylase 1 0.0727 0.1737 1
Plasmodium falciparum histone deacetylase 2 0.0577 0.1361 0.7811
Toxoplasma gondii histone deacetylase HDAC4 0.0305 0.0674 0.3814
Trypanosoma cruzi histone deacetylase 1, putative 0.0727 0.1737 1
Echinococcus granulosus jun protein 0.0101 0.016 0.0924
Echinococcus multilocularis histone deacetylase 7 0.0577 0.1361 0.7834
Brugia malayi Histone deacetylase family protein 0.0577 0.1361 0.7834
Echinococcus multilocularis histone deacetylase 0.0577 0.1361 0.7834
Toxoplasma gondii hypothetical protein 0.0083 0.0114 0.0557
Brugia malayi Histone deacetylase family protein 0.0577 0.1361 0.7834
Echinococcus granulosus histone deacetylase 7 0.0577 0.1361 0.7834
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0045 0.0018 0.0105
Onchocerca volvulus 0.008 0.0105 0.1566
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0727 0.1737 1
Echinococcus multilocularis histone deacetylase 6 0.0577 0.1361 0.7834
Loa Loa (eye worm) hypothetical protein 0.0304 0.0671 0.3865
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.4004 1 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0305 0.0674 0.3879
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0051 0.0033 0.0083
Trichomonas vaginalis histone deacetylase, putative 0.0727 0.1737 1
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.3959 0.9886 1
Echinococcus multilocularis jun protein 0.0101 0.016 0.0924
Brugia malayi bZIP transcription factor family protein 0.0101 0.016 0.0924
Plasmodium vivax histone deacetylase, putative 0.0577 0.1361 0.7811
Trypanosoma cruzi histone deacetylase, putative 0.0577 0.1361 0.7811
Schistosoma mansoni histone deacetylase 4 5 0.0577 0.1361 0.7834
Echinococcus multilocularis UDP glucose 4 epimerase 0.0051 0.0033 0.0188
Trichomonas vaginalis histone deacetylase, putative 0.0727 0.1737 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0727 0.1737 1
Trichomonas vaginalis histone deacetylase, putative 0.0727 0.1737 1
Loa Loa (eye worm) hypothetical protein 0.0727 0.1737 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0029 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

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