Detailed information for compound 736026

Basic information

Technical information
  • TDR Targets ID: 736026
  • Name: 9-bromo-6-[(3,4-dimethoxyphenyl)methyl]indolo [2,3-b]quinoxaline
  • MW: 448.312 | Formula: C23H18BrN3O2
  • H donors: 0 H acceptors: 2 LogP: 4.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1OC)Cn1c2ccc(cc2c2c1nc1ccccc1n2)Br
  • InChi: 1S/C23H18BrN3O2/c1-28-20-10-7-14(11-21(20)29-2)13-27-19-9-8-15(24)12-16(19)22-23(27)26-18-6-4-3-5-17(18)25-22/h3-12H,13H2,1-2H3
  • InChiKey: RXUVZFSJYNXRLY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 9-bromo-6-(3,4-dimethoxybenzyl)indolo[2,3-b]quinoxaline
  • CBKinase1_017463
  • EU-0050303
  • CBKinase1_005063

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
Loa Loa (eye worm) hypothetical protein 0.002 0.0958 0.0958
Loa Loa (eye worm) calpain 5 0.002 0.0948 0.0948
Trypanosoma brucei unspecified product 0.0014 0.0527 0.55
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0248 0.0248
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0958 0.2432
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0948 0.9903
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0248 0.0248
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0248 0.0248
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.0948 0.0718
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0958 0.0958
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0948 0.9903
Schistosoma mansoni thyroid hormone receptor 0.001 0.0248 0.0248
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3939 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.9903
Echinococcus multilocularis dna polymerase kappa 0.002 0.0958 0.0728
Echinococcus multilocularis calpain family protein 1, d 0.0047 0.2826 0.2643
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0958 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0248 0.0248
Trypanosoma brucei unspecified product 0.002 0.0958 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.2381 1
Echinococcus multilocularis calpain 0.002 0.0948 0.0718
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.0948 0.9903
Brugia malayi nuclear hormone receptor 0.001 0.0248 0.0248
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Loa Loa (eye worm) calpain family protein 1 0.0047 0.2826 0.2826
Trypanosoma brucei calpain-like protein, putative 0.002 0.0948 0.9903
Loa Loa (eye worm) hypothetical protein 0.0047 0.2826 0.2826
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.2408
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.9903
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0958 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0958 1
Trypanosoma brucei calpain-like protein, putative 0.002 0.0948 0.9903
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.2636 0.6693
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.9707 1
Loa Loa (eye worm) TAR-binding protein 0.0133 0.8802 0.8802
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.2636 1
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.3939 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0958 0.0958
Brugia malayi nuclear receptor NHR-88 0.001 0.0248 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0248 0.0248
Schistosoma mansoni tar DNA-binding protein 0.0133 0.8802 0.8802
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0248 0.0248
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0248 0.0248
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0248 0.0248
Loa Loa (eye worm) calpain family protein 1 0.0067 0.4205 0.4205
Brugia malayi calpain family protein 1 0.0067 0.4205 0.4205
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0248 0.0248
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0948 0.9903
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.2636 1
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.2381 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0248 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0248 0.0248
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.0948 0.9903
Loa Loa (eye worm) RNA binding protein 0.0133 0.8802 0.8802
Brugia malayi calpain 7 0.002 0.0948 0.0948
Plasmodium vivax calpain, putative 0.002 0.0948 0.3598
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Echinococcus multilocularis calpain A 0.007 0.4442 0.43
Schistosoma mansoni tar DNA-binding protein 0.0133 0.8802 0.8802
Giardia lamblia DINP protein human, muc B family 0.002 0.0958 0.4023
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0248 0.0248
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.2408
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3939 1
Schistosoma mansoni tar DNA-binding protein 0.0133 0.8802 0.8802
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.4442 0.4442
Trypanosoma brucei antigen, putative 0.002 0.0948 0.9903
Schistosoma mansoni nuclear hormone receptor 0.001 0.0248 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0248 0.0248
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.2636 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0958 0.0728
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 1 1
Loa Loa (eye worm) calpain 0.002 0.0948 0.0948
Trypanosoma brucei unspecified product 0.0014 0.0527 0.55
Trypanosoma brucei kinesin, putative 0.002 0.0948 0.9903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0248 0.0248
Brugia malayi TAR-binding protein 0.0133 0.8802 0.8802
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Echinococcus granulosus dna polymerase eta 0.002 0.0958 0.075
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.2636 0.6693
Echinococcus multilocularis calpain 5 0.002 0.0948 0.0718
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0248 0.0248
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.8802 0.8802
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.007 0.4442 0.43
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0248 0.0248
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.3939 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.3939 0.3939
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0248 0.0248
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0958 1
Schistosoma mansoni DNA polymerase eta 0.002 0.0958 0.0958
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.9903
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.9903
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0527 0.55
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0958 0.0958
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0958 0.0958
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.2636 0.2525
Trypanosoma cruzi kinesin, putative 0.002 0.0948 0.9903
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.3939 0.3785
Echinococcus granulosus calpain A 0.007 0.4442 0.4433
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0958 0.0958
Schistosoma mansoni calpain (C02 family) 0.002 0.0948 0.0948
Loa Loa (eye worm) acetyltransferase 0.015 1 1
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.0067 0.4205 0.4205
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0248 0.0248
Leishmania major DNA polymerase eta, putative 0.002 0.0958 0.2432
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0958 0.0065
Brugia malayi ecdysteroid receptor 0.001 0.0248 0.0248
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.3939 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0958 1
Brugia malayi steroid hormone receptor 0.001 0.0248 0.0248
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0958 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0248 0.0248
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0948 0.9903
Leishmania major DNA polymerase kappa, putative 0.002 0.0958 0.2432
Echinococcus granulosus dna polymerase kappa 0.002 0.0958 0.075
Trypanosoma brucei calpain-like protein, putative 0.002 0.0948 0.9903
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0958 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.0948 0.9903
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0527 0.55
Echinococcus multilocularis dna polymerase eta 0.002 0.0958 0.0728
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.0948 0.0948
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.3939 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.8802 0.8802
Loa Loa (eye worm) hypothetical protein 0.0047 0.2826 0.2826
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0948 0.0948
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0248 0.0248
Brugia malayi RNA binding protein 0.0133 0.8802 0.8802
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.3939 0.3902
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.4442 0.4442
Brugia malayi calpain 5 0.002 0.0948 0.0948
Trypanosoma cruzi kinesin, putative 0.002 0.0948 0.9903
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0248 0.0248
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0067 0.4205 0.4205
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Echinococcus multilocularis hypothetical protein 0.002 0.0948 0.0718
Echinococcus granulosus calpain A 0.002 0.0948 0.074
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0958 1
Leishmania major kinesin, putative 0.002 0.0948 0.2408
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0248 0.0248
Schistosoma mansoni tar DNA-binding protein 0.0133 0.8802 0.8802
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0248 0.0248
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0248 0.0248
Onchocerca volvulus 0.0047 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 1 1
Schistosoma mansoni calpain C (C02 family) 0.002 0.0948 0.0948
Schistosoma mansoni coup transcription factor 0.001 0.0248 0.0248
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0958 0.2432
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0248 0.0248
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0248 0.0248
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0958 0.075
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248
Echinococcus granulosus calpain 0.002 0.0948 0.074
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0958 0.2432
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Echinococcus multilocularis tar DNA binding protein 0.0133 0.8802 0.8771
Brugia malayi calpain family protein 1 0.0067 0.4205 0.4205
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.2408
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0248 0.0248
Trypanosoma brucei calpain-like protein, putative 0.002 0.0948 0.9903
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0067 0.4205 0.4205
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.007 0.4442 0.4433
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0248 0.0248
Echinococcus granulosus calpain 5 0.002 0.0948 0.074
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.2381 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0527 0.55
Echinococcus granulosus tar DNA binding protein 0.0133 0.8802 0.9042
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0958 1
Echinococcus granulosus calpain 7 C02 family 0.002 0.0948 0.074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0248 0.0248
Schistosoma mansoni tar DNA-binding protein 0.0133 0.8802 0.8802
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0248 0.0248
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0248 0.0248
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.0948 0.9903
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0958 1
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.3939 0.3939
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0248 0.0248
Loa Loa (eye worm) hypothetical protein 0.001 0.0248 0.0248

Activities

No activities found for this compound.

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.