TDR Targets

Basic information

Technical information

TDR Targets ID: 79231
Name: 1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxop yrrol-3-yl]indole-6-carboxamide
MW: 398.414 | Formula: C23H18N4O3
H donors: 2 H acceptors: 3 LogP: 1.6 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NC(=O)C(=C1c1cn(c2c1ccc(c2)C(=O)N)C)c1cn(c2c1cccc2)C
InChi: 1S/C23H18N4O3/c1-26-10-15(13-5-3-4-6-17(13)26)19-20(23(30)25-22(19)29)16-11-27(2)18-9-12(21(24)28)7-8-14(16)18/h3-11H,1-2H3,(H2,24,28)(H,25,29,30)
InChiKey: JDFHTCHKNZWWME-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

1-methyl-3-[4-(1-methylindol-3-yl)-2,5-dioxo-pyrrol-3-yl]indole-6-carboxamide
1-methyl-3-[4-(1-methyl-3-indolyl)-2,5-dioxo-3-pyrrolyl]-6-indolecarboxamide
3-[2,5-diketo-4-(1-methylindol-3-yl)-3-pyrrolin-3-yl]-1-methyl-indole-6-carboxamide
Bisindolylmaleimide deriv. 46

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
Loa Loa (eye worm)	hypothetical protein	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
Candida albicans	protein kinase C similar to S. cerevisiae PKC1 (YBL105C)	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
Schistosoma japonicum	Protein kinase C alpha type, putative	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
Schistosoma mansoni	serine/threonine protein kinase	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
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	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	serine threonine protein kinase	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
Schistosoma japonicum	Calcium-dependent protein kinase C, putative	Get druggable targets OG5_129482	All targets in OG5_129482
Schistosoma japonicum	IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing	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 granulosus	protein kinase C gamma type	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
Echinococcus multilocularis	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 mansoni	serine/threonine protein kinase	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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0043	0.0193
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0043	0.0155
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0043	0.0021
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0022	0.01
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0043	0.0021
Echinococcus granulosus	protein kinase c iota type	0.0018	0.013	0.0468
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0155
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0043	0.02
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0043	0.0043
Brugia malayi	hypothetical protein	0.0043	0.05	0.0479
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0043	0.0193
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0022	0.01
Schistosoma mansoni	coup transcription factor	0.0012	0.0043	0.0193
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0043	0.0155
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0022	0.008
Echinococcus granulosus	protein kinase C gamma type	0.0059	0.075	0.2692
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0043	0.0193
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0192	0.2707	0.2707
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0043	0.0155
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.05	0.1796
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0043	0.0043
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0858	0.3832
Loa Loa (eye worm)	AGC/AKT protein kinase	0.001	0.0022	0.0022
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0043	0.0193
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0043	0.0155
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0022	0.01
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0043	0.0021
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.001	0.0022	0.0022
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0043	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.001	0.0022	0.0022
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Echinococcus multilocularis	protein kinase c epsilon type	0.0019	0.0153	0.0549
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0043	0.0021
Schistosoma mansoni	serine/threonine kinase	0.001	0.0022	0.01
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0043	0.0155
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0043	0.0021
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0043	0.0193
Toxoplasma gondii	AGC kinase	0.001	0.0022	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0043	0.0155
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0043	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0043	0.0021
Brugia malayi	nuclear hormone receptor	0.0012	0.0043	0.0021
Schistosoma mansoni	serine/threonine protein kinase	0.0067	0.0858	0.3832
Echinococcus granulosus	Protein kinase C brain isozyme	0.0067	0.0858	0.308
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0043	0.0021
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.05	0.2234
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0043	0.0021
Echinococcus granulosus	serine:threonine protein kinase N2	0.001	0.0022	0.008
Entamoeba histolytica	hypothetical protein	0.0043	0.05	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0043	0.0193
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0043	0.0021
Echinococcus multilocularis	protein kinase c iota type	0.0018	0.013	0.0468
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0067	0.0858	0.308
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.001	0.0022	0.008
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0043	0.0155
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0043	0.0193
Brugia malayi	steroid hormone receptor	0.0012	0.0043	0.0021
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0043	0.02
Entamoeba histolytica	hypothetical protein	0.0043	0.05	1
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0043	0.0193
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.001	0.0022	0.008
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.001	0.0022	0.008
Loa Loa (eye worm)	hypothetical protein	0.001	0.0022	0.0022
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0043	0.0193
Brugia malayi	protein kinase C II.	0.0019	0.0153	0.0131
Brugia malayi	hypothetical protein	0.0155	0.216	0.2143
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.001	0.0022	0.0022
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0043	0.0155
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.001	0.0022	0.008
Brugia malayi	Protein kinase c protein 2	0.0057	0.0709	0.0688
Loa Loa (eye worm)	AGC/NDR protein kinase	0.001	0.0022	0.0022
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.05	0.1796
Onchocerca volvulus		0.0155	0.216	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0043	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Loa Loa (eye worm)	AGC/PKN protein kinase	0.001	0.0022	0.0022
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0043	0.0021
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0049	0.0601	0.0601
Echinococcus multilocularis	serine:threonine protein kinase 38	0.001	0.0022	0.008
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.001	0.0022	0.008
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0043	0.0021
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0155
Schistosoma mansoni	hypothetical protein	0.0043	0.05	0.2234
Echinococcus multilocularis	serine threonine protein kinase	0.0059	0.075	0.2692
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.001	0.0022	0.0022
Schistosoma mansoni	jun-related protein	0.016	0.224	1
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0043	0.0021
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Schistosoma mansoni	hypothetical protein	0.016	0.224	1
Echinococcus multilocularis	jun protein	0.0197	0.2787	1
Echinococcus granulosus	jun protein	0.0197	0.2787	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0043	0.0043
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0197	0.2787	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0575	0.0575
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0019	0.0153	0.0153
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0043	0.0021
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0043	0.0155
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0043	0.02
Entamoeba histolytica	hypothetical protein	0.0043	0.05	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0043	0.0021
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0043	0.0155
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0043	0.0043
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0197	0.2787	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0043	0.0043
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0153	0.0683
Brugia malayi	ecdysteroid receptor	0.0012	0.0043	0.0021
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0043	0.0021
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0043	0.0021
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0043	0.0155
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Entamoeba histolytica	hypothetical protein	0.0043	0.05	1
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0043	0.0193
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Echinococcus granulosus	protein kinase c epsilon type	0.0019	0.0153	0.0549
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0043	0.0155
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0043	0.0021
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0043	0.0043
Echinococcus multilocularis	serine:threonine protein kinase N2	0.001	0.0022	0.008
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0043	0.0043
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0043	0.0155
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.001	0.0022	0.008
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0043	0.0043
Schistosoma mansoni	serine/threonine protein kinase	0.001	0.0022	0.01
Trypanosoma brucei	rac serine-threonine kinase, putative	0.001	0.0022	0.5
Echinococcus granulosus	NDR protein kinase	0.001	0.0022	0.008
Brugia malayi	bZIP transcription factor family protein	0.0197	0.2787	0.2771
Schistosoma mansoni	atypical protein kinase C	0.0018	0.013	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Trichomonas vaginalis	AGC family protein kinase	0.001	0.0022	1
Echinococcus multilocularis	RNA directed DNA polymerase	0.0048	0.0575	0.2063
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0048	0.0575	0.2063
Onchocerca volvulus		0.0012	0.0043	0.02
Loa Loa (eye worm)	hypothetical protein	0.0684	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Echinococcus granulosus	RNA directed DNA polymerase	0.0048	0.0575	0.2063
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0683	0.0683
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0043	0.0155

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.5 uM	Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrates	ChEMBL.	1732526
IC50 (binding)	= 9.5 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

PubChem: 5327688

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 79231