TDR Targets

Basic information

Technical information

TDR Targets ID: 77994
Name: 3-(4-chlorophenyl)-4-(1-methylindol-3-yl)pyrr ole-2,5-dione
MW: 336.772 | Formula: C19H13ClN2O2
H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)C
InChi: 1S/C19H13ClN2O2/c1-22-10-14(13-4-2-3-5-15(13)22)17-16(18(23)21-19(17)24)11-6-8-12(20)9-7-11/h2-10H,1H3,(H,21,23,24)
InChiKey: LGGVBRRKUKTEEO-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-(4-chlorophenyl)-4-(1-methyl-3-indolyl)pyrrole-2,5-dione
3-(4-chlorophenyl)-4-(1-methylindol-3-yl)-3-pyrroline-2,5-quinone
(Phenylindolyl)maleimide deriv. 59

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0364	0.91	0.91
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Onchocerca volvulus		0.004	0.0494	0.1627
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Echinococcus multilocularis	neuronal acetylcholine receptor subunit alpha 4	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0347	0.0347
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0044	0.0589	0.0589
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Schistosoma mansoni	inositol transporter	0.0044	0.0589	0.0589
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	ACC-1 protein	0.004	0.0494	0.0494
Echinococcus granulosus	sodium:glucose cotransporter	0.0044	0.0589	0.0589
Onchocerca volvulus		0.0044	0.0589	0.194
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	excitatory GABA receptor EXP-1A	0.004	0.0494	0.0494
Schistosoma mansoni	high-affinity choline transporter	0.0398	1	1
Onchocerca volvulus		0.004	0.0494	0.1627
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	0.004	0.0494	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.0494	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Schistosoma mansoni	hypothetical protein	0.0035	0.0347	0.0347
Echinococcus granulosus	nicotinic acetylcholine receptor a11 subunit	0.004	0.0494	0.0494
Echinococcus multilocularis	Cys loop ligand gated ion channel subunit	0.004	0.0494	0.0494
Brugia malayi	nicotinic acetylcholine receptor alpha subunit, putative	0.004	0.0494	0.0494
Loa Loa (eye worm)	ACC-1 protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	LGC-31 protein	0.004	0.0494	0.0494
Echinococcus granulosus	neuronal acetylcholine receptor subunit alpha 4	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Echinococcus granulosus	high affinity choline transporter 1	0.0398	1	1
Loa Loa (eye worm)	nicotinic acetylcholine receptor alpha subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0398	1	1
Leishmania major	C-8 sterol isomerase-like protein	0.0364	0.91	1
Echinococcus multilocularis	solute carrier family 5	0.0044	0.0589	0.0589
Echinococcus granulosus	nicotinic acetylcholine receptor subunit type	0.004	0.0494	0.0494
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0364	0.91	1
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	0.004	0.0494	0.0494
Brugia malayi	acetylcholine receptor, alpha-type subunit unc-38 precursor	0.004	0.0494	0.0494
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0364	0.91	0.91
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	acetylcholine receptor alpha subunit	0.004	0.0494	0.0494
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0044	0.0589	0.0589
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.0494	0.0494
Echinococcus multilocularis	high affinity choline transporter 1	0.0398	1	1
Brugia malayi	nicotinic acetylcholine receptor beta-1 chain precursor	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Echinococcus multilocularis	nicotinic acetylcholine receptor a11 subunit	0.004	0.0494	0.0494
Schistosoma mansoni	Cys-loop ligand gated ion channel subunit	0.004	0.0494	0.0494
Echinococcus multilocularis	nAChR subunit	0.004	0.0494	0.0494
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0044	0.0589	0.0589
Brugia malayi	Cation transporter family protein	0.004	0.0494	0.0494
Echinococcus granulosus	solute carrier family 5	0.0044	0.0589	0.0589
Loa Loa (eye worm)	glutamate-gated chloride channel alpha3A subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0186	0.4369	0.4369
Brugia malayi	Hypothetical glycine receptor like protein T20B12.9 in chromosome III	0.004	0.0494	0.0494
Brugia malayi	Sodium:solute symporter family protein	0.0044	0.0589	0.0589
Echinococcus multilocularis	glycine receptor subunit beta	0.004	0.0494	0.0494
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0347	0.0347
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Echinococcus granulosus	glycine receptor subunit alpha 1	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Brugia malayi	gamma-aminobutyric-acid receptor beta subunit precursor	0.004	0.0494	0.0494
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Schistosoma mansoni	inositol transporter	0.0044	0.0589	0.0589
Echinococcus granulosus	nicotinic acetylcholine receptor alpha subunit	0.004	0.0494	0.0494
Echinococcus granulosus	glycine receptor subunit alpha 1	0.004	0.0494	0.0494
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Onchocerca volvulus		0.0136	0.3038	1
Echinococcus granulosus	glycine receptor subunit beta	0.004	0.0494	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.0494	0.0494
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0044	0.0589	0.0589
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.0494	0.0494
Onchocerca volvulus		0.004	0.0494	0.1627
Echinococcus granulosus	Cys loop ligand gated ion channel subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	ligand-Gated ion Channel family member	0.004	0.0494	0.0494
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0347	0.0347
Echinococcus granulosus	acetylcholine receptor subunit beta 1	0.004	0.0494	0.0494
Onchocerca volvulus		0.004	0.0494	0.1627
Brugia malayi	excitatory GABA receptor EXP-1A	0.004	0.0494	0.0494
Brugia malayi	hypothetical protein	0.0035	0.0347	0.0347
Brugia malayi	Cation transporter family protein	0.004	0.0494	0.0494
Schistosoma mansoni	sodium/solute symporter	0.0044	0.0589	0.0589
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	0.004	0.0494	0.0494
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0044	0.0589	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.004	0.0494	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.0494	0.0494
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0044	0.0589	0.0589
Brugia malayi	Cation transporter family protein	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Echinococcus multilocularis	glycine receptor subunit alpha 1	0.004	0.0494	0.0494
Onchocerca volvulus		0.004	0.0494	0.1627
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Echinococcus granulosus	glycine receptor subunit beta	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0589	0.0589
Echinococcus granulosus	glycine receptor subunit alpha 1	0.004	0.0494	0.0494
Echinococcus multilocularis	nicotinic acetylcholine receptor alpha subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.0494	0.0494
Echinococcus granulosus	nicotinic acetylcholine receptor beta 1 subunit	0.004	0.0494	0.0494
Brugia malayi	Neurotransmitter-gated ion-channel transmembrane region family protein	0.004	0.0494	0.0494
Entamoeba histolytica	hypothetical protein	0.0035	0.0347	1
Echinococcus multilocularis	nicotinic acetylcholine receptor beta 1 subunit	0.004	0.0494	0.0494
Loa Loa (eye worm)	nicotinic acetylcholine receptor non-alpha subunit	0.004	0.0494	0.0494
Onchocerca volvulus		0.004	0.0494	0.1627
Brugia malayi	Neurotransmitter-gated ion-channel ligand binding domain containing protein	0.004	0.0494	0.0494
Echinococcus granulosus	nAChR subunit	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Echinococcus multilocularis	nicotinic acetylcholine receptor subunit alpha 8	0.004	0.0494	0.0494
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0364	0.91	1
Schistosoma mansoni	nAChR subunit	0.004	0.0494	0.0494
Brugia malayi	acetylcholine receptor protein, alpha-like chain, putative	0.004	0.0494	0.0494
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0044	0.0589	0.0589
Echinococcus multilocularis	glycine receptor subunit beta	0.004	0.0494	0.0494
Echinococcus multilocularis	acetylcholine receptor subunit beta 1	0.004	0.0494	0.0494
Onchocerca volvulus	Putative nachr subunit	0.004	0.0494	0.1627
Echinococcus granulosus	nicotinic acetylcholine receptor subunit alpha 8	0.004	0.0494	0.0494
Schistosoma mansoni	nAChR subunit (ShAR1-beta2-like)	0.004	0.0494	0.0494
Loa Loa (eye worm)	hypothetical protein	0.004	0.0494	0.0494

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 100 uM	Inhibition of rat brain protein kinase C (PKC) with ATP and histone as substrates	ChEMBL.	1732526
IC50 (binding)	> 100 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: 5327701

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 77994