Detailed information for compound 1145367

Basic information

Technical information
  • TDR Targets ID: 1145367
  • Name: 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo ethyl]pyrrolidine-2,5-dione
  • MW: 335.785 | Formula: C16H18ClN3O3
  • H donors: 0 H acceptors: 3 LogP: 0.89 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1Cl)CN1C(=O)CCC1=O
  • InChi: 1S/C16H18ClN3O3/c17-12-3-1-2-4-13(12)18-7-9-19(10-8-18)16(23)11-20-14(21)5-6-15(20)22/h1-4H,5-11H2
  • InChiKey: MRAWHWIVRXDZQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]pyrrolidine-2,5-dione
  • 1-[2-[4-(2-chlorophenyl)-1-piperazinyl]-2-oxoethyl]pyrrolidine-2,5-dione
  • 1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-keto-ethyl]pyrrolidine-2,5-quinone
  • ZINC07884127

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
Schistosoma mansoni jumonji domain containing protein 0.0057 0.4005 0.4005
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.3014 0.1708
Echinococcus multilocularis tar DNA binding protein 0.0127 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0459 0.0459
Echinococcus granulosus lysine specific demethylase 5A 0.0057 0.4005 0.4005
Schistosoma mansoni protein phosphatase 2C 0.0015 0.0459 0.0459
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.1242 0.4481
Loa Loa (eye worm) jmjC domain-containing protein 0.0057 0.4005 0.4005
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.6936 0.6936
Loa Loa (eye worm) TAR-binding protein 0.0127 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.6936 1
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1
Trichomonas vaginalis CAMK family protein kinase 0.0045 0.3014 0.1708
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.2206 1
Loa Loa (eye worm) RNA binding protein 0.0127 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.4005 0.4005
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.1242 0.1209
Leishmania major hypothetical protein, conserved 0.0024 0.1242 0.1209
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0459 0.0459
Brugia malayi jmjC domain containing protein 0.0015 0.0459 0.0459
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.2206 0.1907
Giardia lamblia Kinase, PLK 0.0091 0.6936 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.6936 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0459 0.0459
Loa Loa (eye worm) inositol-1 0.0036 0.2206 0.2206
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1
Brugia malayi hypothetical protein 0.0016 0.0507 0.0507
Echinococcus granulosus phd:f box containing protein 0.0015 0.0459 0.0459
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.6936 0.6936
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1242 1
Brugia malayi jmjC domain containing protein 0.0015 0.0459 0.0459
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.1092 0.0977
Loa Loa (eye worm) hypothetical protein 0.0015 0.0459 0.0459
Echinococcus multilocularis L aminoadipate semialdehyde 0.008 0.6005 0.6005
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.1092 0.8086
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.2206 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.1242 0.1209
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.6936 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.1888 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.1092 0.5
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.1092 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.2206 0.2206
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0099 0.0099
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0459 0.0459
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Brugia malayi Inositol-1 0.0036 0.2206 0.2206
Schistosoma mansoni phd/f-box containing protein 0.0015 0.0459 0.0459
Schistosoma mansoni inositol monophosphatase 0.0036 0.2206 0.2206
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.2206 1
Brugia malayi jmjC domain containing protein 0.0015 0.0459 0.0459
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.4005 0.4005
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.1092 0.3623
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.1242 1
Trypanosoma brucei polo-like protein kinase 0.0091 0.6936 1
Schistosoma mansoni jumonji domain containing protein 0.0015 0.0459 0.0459
Schistosoma mansoni inositol monophosphatase 0.0036 0.2206 0.2206
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2206 0.2698
Loa Loa (eye worm) hypothetical protein 0.008 0.6005 0.6005
Onchocerca volvulus 0.008 0.6005 0.8658
Schistosoma mansoni hypothetical protein 0.0011 0.0099 0.0099
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.6936 1
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.6936 0.6936
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0099 0.0099
Loa Loa (eye worm) hypothetical protein 0.0024 0.1242 0.1242
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.4005 0.4005
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0459 0.0459
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0015 0.0459 0.0459
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0459 0.0459
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0459 0.0459
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0459 0.0459
Loa Loa (eye worm) hypothetical protein 0.0015 0.0459 0.0459
Brugia malayi jmjC domain containing protein 0.0057 0.4005 0.4005
Echinococcus granulosus L aminoadipate semialdehyde 0.008 0.6005 0.6005
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.1242 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0127 1 1
Brugia malayi TAR-binding protein 0.0127 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0057 0.4005 0.4005
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2206 0.2698
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.008 0.6005 0.6005
Brugia malayi hypothetical protein 0.0024 0.1242 0.1242
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.6936 1
Brugia malayi jmjC domain containing protein 0.0015 0.0459 0.0459
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.008 0.6005 0.6005
Echinococcus granulosus tar DNA binding protein 0.0127 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.6936 0.6936
Brugia malayi jmjC domain containing protein 0.0057 0.4005 0.4005
Schistosoma mansoni kinase 0.0046 0.3116 0.3116
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2206 0.2698
Schistosoma mansoni phosphatidylserine receptor 0.0015 0.0459 0.0459
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.1092 0.8086
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0459 0.0459
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0015 0.0459 0.0459
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.2206 0.2698
Schistosoma mansoni tar DNA-binding protein 0.0127 1 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.1092 0.3623
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0015 0.0459 0.0459
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.6936 0.6936
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.1242 0.1209
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0459 0.0459
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.1888 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.1092 0.0977
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.4005 0.4005
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.2206 0.2206
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0459 0.0459
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.6936 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 75 % Anticonvulsant activity in albino CF1 mouse assessed as protection against electrically-induced seizure at 100 mg/kg, ip after 0.25 hrs by 6Hz psychomotor seizure test ChEMBL. 21875804
MED (functional) = 100 mg kg-1 Anticonvulsant activity in ip dosed albino CF1 mouse assessed as protection against maximal electroshock-induced seizures after 0.5 hrs ChEMBL. 21875804
MED (functional) = 300 mg kg-1 Anticonvulsant activity in ip dosed albino CF1 mouse assessed as protection against subcutaneous pentylenetetrazole-induced seizures after 0.5 hrs ChEMBL. 21875804
MTC (ADMET) = 300 mg kg-1 Neurotoxicity in ip dosed albino CF1 mouse assessed as minimum dose required to cause motor impairment after 0.5 hrs by rotarod test ChEMBL. 21875804

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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