Detailed information for compound 1067969

Basic information

Technical information
  • TDR Targets ID: 1067969
  • Name: 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin e-1-carbonyl)isoindole-1,3-dione
  • MW: 446.886 | Formula: C24H19ClN4O3
  • H donors: 0 H acceptors: 4 LogP: 3.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)N1CCN(CC1)c1ccccn1
  • InChi: 1S/C24H19ClN4O3/c25-17-5-7-18(8-6-17)29-23(31)19-9-4-16(15-20(19)24(29)32)22(30)28-13-11-27(12-14-28)21-3-1-2-10-26-21/h1-10,15H,11-14H2
  • InChiKey: HEJJAJSWAFGPHP-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-chlorophenyl)-5-[4-(2-pyridyl)piperazine-1-carbonyl]isoindoline-1,3-dione
  • 2-(4-chlorophenyl)-5-[oxo-[4-(2-pyridyl)-1-piperazinyl]methyl]isoindoline-1,3-dione
  • 2-(4-chlorophenyl)-5-[4-(2-pyridyl)piperazine-1-carbonyl]isoindoline-1,3-quinone
  • 2-(4-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione
  • T5235218
  • MLS000053631
  • SMR000066474

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 0.0094 0.4135 0.3836
Schistosoma mansoni hypothetical protein 0.0173 0.8341 0.717
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 0.4135 0.4135
Brugia malayi hypothetical protein 0.0094 0.4135 0.4135
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0094 0.4135 0.4135
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0094 0.4135 0.4135
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0486 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.5615 0.539
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Echinococcus multilocularis geminin 0.0173 0.8341 0.717
Onchocerca volvulus 0.011 0.4978 0.1438
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0486 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0486 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Brugia malayi MH2 domain containing protein 0.0122 0.5615 0.5615
Leishmania major hypothetical protein, conserved 0.0026 0.0486 0.5
Loa Loa (eye worm) acetylcholine receptor protein 0.0094 0.4135 0.3836
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.011 0.4978 0.4978
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Echinococcus granulosus nAChR subunit 0.011 0.4978 0.1438
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Schistosoma mansoni neurotransmitter gated ion channel 0.011 0.4978 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 0.4135 0.4135
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0094 0.4135 0.3836
Entamoeba histolytica hypothetical protein 0.011 0.4978 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.011 0.4978 0.4978
Onchocerca volvulus 0.011 0.4978 0.1438
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0486 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Brugia malayi hypothetical protein 0.0094 0.4135 0.4135
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Loa Loa (eye worm) GABA receptor subunit 0.011 0.4978 0.4722
Brugia malayi hypothetical protein 0.0094 0.4135 0.4135
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0094 0.4135 0.4135
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0486 0.5
Brugia malayi hypothetical protein 0.0094 0.4135 0.4135
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.011 0.4978 0.4978
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.011 0.4978 0.4978
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Schistosoma mansoni hypothetical protein 0.0173 0.8341 0.717
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0094 0.4135 0.3836
Brugia malayi hypothetical protein 0.0094 0.4135 0.4135
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0486 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.011 0.4978 0.1438
Loa Loa (eye worm) hypothetical protein 0.011 0.4978 0.4722
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Brugia malayi hypothetical protein 0.0026 0.0486 0.0486
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.011 0.4978 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0094 0.4135 0.4135
Echinococcus multilocularis nAChR subunit 0.011 0.4978 0.1438
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.5615 0.539
Loa Loa (eye worm) hypothetical protein 0.0094 0.4135 0.3836
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0486 0.5
Echinococcus granulosus geminin 0.0173 0.8341 0.717

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.

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