Detailed information for compound 78555

Basic information

Technical information
  • TDR Targets ID: 78555
  • Name: 3-(5-amino-1-methylindol-3-yl)-4-(1-methylind ol-3-yl)pyrrole-2,5-dione
  • MW: 370.404 | Formula: C22H18N4O2
  • H donors: 2 H acceptors: 2 LogP: 2.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)c(cn2C)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C
  • InChi: 1S/C22H18N4O2/c1-25-10-15(13-5-3-4-6-17(13)25)19-20(22(28)24-21(19)27)16-11-26(2)18-8-7-12(23)9-14(16)18/h3-11H,23H2,1-2H3,(H,24,27,28)
  • InChiKey: LSAVPOITAZCHEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(5-amino-1-methyl-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
  • 3-(5-amino-1-methyl-3-indolyl)-4-(1-methyl-3-indolyl)pyrrole-2,5-dione
  • 3-(5-azanyl-1-methyl-indol-3-yl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione
  • 3-(5-amino-1-methyl-indol-3-yl)-4-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone
  • Bisindolylmaleimide deriv. 30

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Protein kinase C gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing Get druggable targets OG5_129482 All targets in OG5_129482
Brugia malayi Protein kinase c protein 2 Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Calcium-dependent protein kinase C, putative Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis Protein kinase C, brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus protein kinase C gamma type Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Protein kinase C gamma type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis telomerase reverse transcriptase subunit Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis serine threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus Protein kinase C brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Protein kinase C gamma   697 aa 665 aa 60.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica cytidine deaminase, putative 0.0056 0.1291 0.4271
Echinococcus granulosus geminin 0.0176 0.4768 0.4768
Loa Loa (eye worm) hypothetical protein 0.0025 0.0394 0.0719
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.1001 0.3124
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1614 0.3384
Echinococcus granulosus protein kinase c iota type 0.0018 0.019 0.019
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0067 0.1614 0.1614
Echinococcus granulosus protein kinase c epsilon type 0.0019 0.0234 0.0234
Schistosoma mansoni glycogen phosphorylase 0.0046 0.1001 0.21
Loa Loa (eye worm) glycogen phosphorylase 0.0106 0.2737 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0049 0.1109 0.3551
Echinococcus multilocularis protein kinase c iota type 0.0018 0.019 0.019
Echinococcus multilocularis protein kinase c epsilon type 0.0019 0.0234 0.0234
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0394 0.1684
Mycobacterium ulcerans cytidine deaminase 0.0056 0.1291 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0986 0.3064
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.2737 0.2737
Trichomonas vaginalis cytidine deaminase, putative 0.0056 0.1291 0.4271
Leishmania major hypothetical protein, conserved 0.0025 0.0394 0.1684
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0213 0.0277
Leishmania major cytidine deaminase-like protein 0.0056 0.1291 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0986 0.0986
Chlamydia trachomatis glycogen phosphorylase 0.0106 0.2737 0.5
Giardia lamblia Glycogen phosphorylase 0.0106 0.2737 1
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.2737 0.2737
Toxoplasma gondii cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein 0.0056 0.1291 1
Trypanosoma brucei cytidine deaminase 0.0056 0.1291 1
Entamoeba histolytica glycogenphosphorylase, putative 0.0046 0.1001 0.3124
Echinococcus multilocularis sodium:nucleoside cotransporter 2 0.0232 0.641 0.641
Echinococcus multilocularis concentrative Na+ nucleoside cotransporter 0.0356 1 1
Echinococcus granulosus Na+ dependent nucleoside transporter 0.0356 1 1
Echinococcus multilocularis geminin 0.0176 0.4768 0.4768
Schistosoma mansoni glycogen phosphorylase 0.0106 0.2737 0.5741
Schistosoma mansoni hypothetical protein 0.0176 0.4768 1
Echinococcus granulosus concentrative Na nucleoside cotransporter 0.0356 1 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.1001 0.3124
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0394 0.1684
Echinococcus multilocularis solute carrier family 28 0.0356 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0234 0.049
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0986 0.0986
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.2737 1
Echinococcus granulosus cytidine deaminase 0.0056 0.1291 0.1291
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.2737 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0986 0.2068
Schistosoma mansoni ap endonuclease 0.0018 0.0213 0.0446
Brugia malayi protein kinase C II. 0.0019 0.0234 0.0357
Trypanosoma cruzi cytidine deaminase-like protein 0.0056 0.1291 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0046 0.1001 0.7314
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0046 0.1001 0.7314
Trypanosoma cruzi cytidine deaminase-like protein, putative 0.0056 0.1291 1
Schistosoma mansoni ap endonuclease 0.0018 0.0213 0.0446
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0986 0.0986
Echinococcus granulosus protein kinase C gamma type 0.0059 0.1402 0.1402
Schistosoma mansoni hypothetical protein 0.0176 0.4768 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0394 0.1684
Echinococcus granulosus RNA directed DNA polymerase 0.0048 0.1059 0.1059
Giardia lamblia Cytidine deaminase 0.0056 0.1291 0.4271
Mycobacterium tuberculosis Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase) 0.0056 0.1291 1
Brugia malayi Protein kinase c protein 2 0.0057 0.1321 0.4544
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0213 0.0213
Echinococcus granulosus Glycosyl transferase family 35 0.0106 0.2737 0.2737
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0213 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.2737 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0106 0.2737 0.2737
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0986 0.0986
Echinococcus multilocularis cytidine deaminase 0.0056 0.1291 0.1291
Loa Loa (eye worm) hypothetical protein 0.0048 0.1059 0.3352
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0048 0.1059 0.1059
Onchocerca volvulus Glycogen phosphorylase homolog 0.0106 0.2737 1
Schistosoma mansoni glycogen phosphorylase 0.0106 0.2737 0.5741
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0213 0.0213
Brugia malayi carbohydrate phosphorylase 0.0106 0.2737 1
Schistosoma mansoni atypical protein kinase C 0.0018 0.019 0.0398
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0394 0.1684
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0394 1
Trichomonas vaginalis cytidine deaminase, putative 0.0056 0.1291 0.4271
Echinococcus multilocularis RNA directed DNA polymerase 0.0048 0.1059 0.1059
Echinococcus granulosus glycogen phosphorylase 0.0106 0.2737 0.2737
Brugia malayi cytidine deaminase, identical 0.0056 0.1291 0.4429
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0394 1
Mycobacterium leprae PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE) 0.0056 0.1291 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0986 0.2068
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0986 0.2068
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0394 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0019 0.0234 0.0083
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.2737 1
Echinococcus multilocularis serine threonine protein kinase 0.0059 0.1402 0.1402
Brugia malayi hypothetical protein 0.0025 0.0394 0.0976
Echinococcus granulosus glycogen phosphorylase 0.0106 0.2737 0.2737
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0213 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0986 0.3256
Echinococcus granulosus Protein kinase C brain isozyme 0.0067 0.1614 0.1614
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1614 0.3384
Loa Loa (eye worm) hypothetical protein 0.0055 0.127 0.4189

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.49 uM Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrates ChEMBL. 1732526
IC50 (binding) = 0.49 uM Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrates ChEMBL. 1732526

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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