TDR Targets

Basic information

Technical information

TDR Targets ID: 162547
Name: 3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4 -(1-methylindol-3-yl)pyrrole-2,5-dione
MW: 381.427 | Formula: C24H19N3O2
H donors: 1 H acceptors: 2 LogP: 3.09 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C)c1c2ccccc2n2c1CCC2
InChi: 1S/C24H19N3O2/c1-26-13-16(14-7-2-4-9-17(14)26)21-22(24(29)25-23(21)28)20-15-8-3-5-10-18(15)27-12-6-11-19(20)27/h2-5,7-10,13H,6,11-12H2,1H3,(H,25,28,29)
InChiKey: QJISCZMEOOQPLS-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

3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methyl-3-indolyl)pyrrole-2,5-dione
3-(2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)-4-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone
Bisindolylmaleimide deriv. 5a

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Protein kinase C, PKC; classical	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Protein kinase C, PKC; classical	697 aa	665 aa	60.5 %
Brugia malayi	Protein kinase c protein 2	Protein kinase C, PKC; classical	697 aa	660 aa	60.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Schistosoma mansoni	zinc finger protein	0.003	0.0289	0.1111
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0185	0.0713
Echinococcus granulosus	ecdysone induced protein 78C	0.0064	0.0855	0.1485
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Loa Loa (eye worm)	DR-78	0.003	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.003	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0607	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Echinococcus granulosus	FTZ F1 alpha	0.0064	0.0855	0.1485
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0064	0.0855	0.1485
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.003	0.0289	0.1111
Loa Loa (eye worm)	nuclear hormone receptor	0.003	0.0289	0.0289
Brugia malayi	steroid hormone receptor	0.0064	0.0855	0.0855
Echinococcus multilocularis	nuclear receptor nhr 48	0.003	0.0289	0.0501
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Echinococcus granulosus	thyroid hormone receptor alpha	0.003	0.0289	0.0501
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0064	0.0855	0.0855
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.0855	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0349	0.0349
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0064	0.0855	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0349	0.0349
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Schistosoma mansoni	nuclear receptor nhr-48	0.003	0.0289	0.1111
Schistosoma mansoni	nuclear receptor	0.003	0.0289	0.1111
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0289	0.1111
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0064	0.0855	0.0855
Brugia malayi	Nuclear hormone receptor-like 1	0.0064	0.0855	0.0855
Onchocerca volvulus	Bile acid receptor homolog	0.0064	0.0855	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.003	0.0289	0.0501
Brugia malayi	nuclear hormone receptor family member nhr-6	0.003	0.0289	0.0289
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0064	0.0855	0.1485
Entamoeba histolytica	hypothetical protein	0.0038	0.0419	1
Entamoeba histolytica	hypothetical protein	0.0038	0.0419	1
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0289	0.1111
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0064	0.0855	0.0855
Brugia malayi	tailless protein	0.003	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Brugia malayi	ecdysone receptor	0.003	0.0289	0.0289
Brugia malayi	hypothetical protein	0.003	0.0289	0.0289
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0064	0.0855	0.0855
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.0855	0.1485
Schistosoma mansoni	retinoic acid receptor RXR	0.0167	0.2599	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0064	0.0855	0.3291
Echinococcus granulosus	nuclear receptor nhr 48	0.003	0.0289	0.0501
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0064	0.0855	0.3291
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0185	0.0713
Entamoeba histolytica	hypothetical protein	0.0038	0.0419	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0349	0.0349
Brugia malayi	nuclear receptor NHR-88	0.0064	0.0855	0.0855
Brugia malayi	Steroid receptor seven-up type 2	0.0064	0.0855	0.0855
Echinococcus multilocularis	tumor protein p63	0.0355	0.576	1
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Brugia malayi	hypothetical protein	0.003	0.0289	0.0289
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Echinococcus granulosus	Protein kinase C brain isozyme	0.0024	0.0185	0.0322
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0064	0.0855	0.0855
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0064	0.0855	0.3291
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Echinococcus multilocularis	protein kinase c iota type	0.0022	0.0154	0.0267
Toxoplasma gondii	AGC kinase	0.0013	0	0.5
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.003	0.0289	0.0289
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0064	0.0855	0.3291
Brugia malayi	photoreceptor-specific nuclear receptor	0.0064	0.0855	0.0855
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0064	0.0855	0.1485
Onchocerca volvulus	Protein ultraspiracle homolog	0.0064	0.0855	1
Schistosoma mansoni	hypothetical protein	0.0038	0.0419	0.1613
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0134	0.2033	0.3529
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0064	0.0855	0.1485
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0064	0.0855	0.3291
Brugia malayi	protein kinase C II.	0.0024	0.0185	0.0185
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0064	0.0855	0.0855
Schistosoma mansoni	nuclear hormone receptor	0.0064	0.0855	0.3291
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0024	0.0185	0.0185
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0064	0.0855	0.0855
Echinococcus granulosus	protein kinase c epsilon type	0.0024	0.0185	0.0322
Brugia malayi	Nuclear hormone receptor E75	0.003	0.0289	0.0289
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0064	0.0855	0.0855
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0349	0.0349
Brugia malayi	hypothetical protein	0.0034	0.0349	0.0349
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Echinococcus granulosus	protein kinase C gamma type	0.0015	0.0032	0.0055
Echinococcus granulosus	protein kinase c iota type	0.0022	0.0154	0.0267
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0419	0.1613
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0064	0.0855	0.0855
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.003	0.0289	0.0501
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0013	0	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.003	0.0289	0.0289
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.0658	0.253
Brugia malayi	hypothetical protein	0.0034	0.0349	0.0349
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.003	0.0289	0.0501
Brugia malayi	nuclear receptor NHR-67	0.003	0.0289	0.0289
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0419	0.0728
Brugia malayi	nuclear receptor RXR	0.0034	0.0349	0.0349
Brugia malayi	orphan nuclear receptor NR2E1	0.003	0.0289	0.0289
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0064	0.0855	0.0855
Trichomonas vaginalis	AGC family protein kinase	0.0013	0	0.5
Brugia malayi	nuclear hormone receptor	0.0064	0.0855	0.0855
Onchocerca volvulus		0.0052	0.0658	0.6509
Brugia malayi	Nuclear hormone receptor E75	0.003	0.0289	0.0289
Echinococcus granulosus	Nuclear hormone receptor HR96	0.003	0.0289	0.0501
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0064	0.0855	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0034	0.0349	0.0349
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.0349	0.1345
Schistosoma mansoni	coup transcription factor	0.0064	0.0855	0.3291
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0167	0.2599	0.4513
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0064	0.0855	0.1485
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0064	0.0855	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0349	0.0349
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0419	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0658	0.0658
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0064	0.0855	0.1485
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0064	0.0855	0.0855
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0349	0.0349
Brugia malayi	nuclear receptor NHR-88	0.003	0.0289	0.0289
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0289	0.0501
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0024	0.0185	0.0322
Brugia malayi	nuclear receptor RXR	0.003	0.0289	0.0289
Loa Loa (eye worm)	steroid hormone receptor	0.0064	0.0855	0.0855
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0034	0.0349	0.0607
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0064	0.0855	0.1485
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0064	0.0855	0.1485
Echinococcus granulosus	Nuclear hormone receptor HR96	0.003	0.0289	0.0501
Echinococcus multilocularis	FTZ F1 alpha	0.0064	0.0855	0.1485
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0289	0.0501
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0064	0.0855	0.0855
Schistosoma mansoni	atypical protein kinase C	0.0022	0.0154	0.0591
Echinococcus multilocularis	ecdysone induced protein 78C	0.0064	0.0855	0.1485
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0064	0.0855	0.0855
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0064	0.0855	0.0855
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0064	0.0855	0.1485
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0064	0.0855	0.0855
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0064	0.0855	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0064	0.0855	0.0855
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.003	0.0289	0.0501
Schistosoma mansoni	thyroid hormone receptor	0.0064	0.0855	0.3291
Loa Loa (eye worm)	hypothetical protein	0.003	0.0289	0.0289
Brugia malayi	hypothetical protein	0.0038	0.0419	0.0419
Echinococcus multilocularis	protein kinase c epsilon type	0.0024	0.0185	0.0322
Schistosoma mansoni	thyroid hormone receptor	0.0064	0.0855	0.3291
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.003	0.0289	0.1111
Echinococcus granulosus	tumor protein p63	0.0355	0.576	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0064	0.0855	0.0855
Schistosoma mansoni	serine/threonine protein kinase	0.0024	0.0185	0.0713
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0034	0.0349	0.1345
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0064	0.0855	0.1485
Brugia malayi	nuclear hormone receptor	0.003	0.0289	0.0289
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0064	0.0855	0.0855
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0855	0.0855
Schistosoma mansoni	RAR-like nuclear receptor	0.0064	0.0855	0.3291
Echinococcus multilocularis	serine threonine protein kinase	0.0015	0.0032	0.0055
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0064	0.0855	0.3291
Entamoeba histolytica	hypothetical protein	0.0038	0.0419	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0034	0.0349	0.0607
Brugia malayi	nuclear hormone receptor family member odr-7	0.003	0.0289	0.0289
Onchocerca volvulus		0.0064	0.0855	1
Brugia malayi	conserved hypotetical protein	0.003	0.0289	0.0289
Brugia malayi	ecdysteroid receptor	0.0064	0.0855	0.0855
Schistosoma mansoni	nuclear receptor	0.003	0.0289	0.1111
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0064	0.0855	0.3291
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0349	0.0349

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 210 nM	Inhibition of protein kinase C was evaluated as Inhibitory concentration	ChEMBL.	8421286
IC50 (binding)	= 210 nM	Inhibition of protein kinase C was evaluated as Inhibitory concentration	ChEMBL.	8421286
IC50 (binding)	= 68 uM	Inhibition of protein kinase A was evaluated as Inhibitory concentration	ChEMBL.	8421286

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: 5327735

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 162547