Detailed information for compound 668241

Basic information

Technical information
  • TDR Targets ID: 668241
  • Name: N-(3-chloro-4-methylphenyl)-5-oxo-1-propan-2- ylpyrrolidine-3-carboxamide
  • MW: 294.777 | Formula: C15H19ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CC(=O)N(C1)C(C)C)Nc1ccc(c(c1)Cl)C
  • InChi: 1S/C15H19ClN2O2/c1-9(2)18-8-11(6-14(18)19)15(20)17-12-5-4-10(3)13(16)7-12/h4-5,7,9,11H,6,8H2,1-3H3,(H,17,20)
  • InChiKey: IFRFRSPLRDHXQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-4-methyl-phenyl)-1-isopropyl-5-oxo-pyrrolidine-3-carboxamide
  • N-(3-chloro-4-methylphenyl)-1-isopropyl-5-oxo-3-pyrrolidinecarboxamide
  • N-(3-chloro-4-methyl-phenyl)-1-isopropyl-5-keto-pyrrolidine-3-carboxamide
  • N-(3-chloro-4-methyl-phenyl)-5-oxo-1-propan-2-yl-pyrrolidine-3-carboxamide
  • MLS000706405
  • SMR000288457
  • Oprea1_514584
  • ST066139
  • BAS 06323579

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 lamin 0.0032 0.0147 0.0135
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0147 0.0147
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0181 0.0176
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1178 1 1
Brugia malayi hypothetical protein 0.0294 0.2399 0.239
Schistosoma mansoni aldehyde dehydrogenase 0.0247 0.1992 0.1982
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0012 0.0012
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0181 0.0138
Trichomonas vaginalis ran, putative 0.0021 0.0052 0.0018
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0181 0.0148
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.002 0.002
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0044 0.5415
Schistosoma mansoni ap endonuclease 0.002 0.0044 0.0032
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0116 0.5578
Brugia malayi hypothetical protein 0.0017 0.0015 0.0003
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0093 0.005
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0012 0.0012
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0052 0.0008
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1178 1 1
Brugia malayi hypothetical protein 0.0026 0.0093 0.0082
Schistosoma mansoni lamin 0.0032 0.0147 0.0135
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0181 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0044 0.0044
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.0022
Echinococcus granulosus importin subunit beta 1 0.0028 0.0116 0.0111
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1178 1 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0181 0.017
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1178 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0093 0.4021
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0044 0.0659
Brugia malayi RNA, U transporter 1 0.0081 0.0565 0.0554
Echinococcus granulosus dna polymerase kappa 0.0019 0.0034 0.0029
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1178 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0034 0.0022
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0116 0.0073
Toxoplasma gondii aldehyde dehydrogenase 0.0247 0.1992 0.1956
Echinococcus granulosus snurportin 1 0.0302 0.2472 0.2468
Onchocerca volvulus 0.0294 0.2399 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0044 0.001
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0409 0.3389 0.3366
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.002 0.0008
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1178 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0044 0.0039
Brugia malayi intermediate filament protein 0.0032 0.0147 0.0135
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0012 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0034 0.0034
Schistosoma mansoni microtubule-associated protein tau 0.0723 0.6084 0.6079
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0409 0.3389 1
Echinococcus multilocularis dUTP pyrophosphatase 0.1178 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0338 0.0333
Brugia malayi Inositol-1 0.0036 0.0181 0.017
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 0.1914 0.1914
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0338 0.0333
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0093 0.4021
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1178 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.007 0.2453
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0034 0.0034
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0149 0.0343
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0034 0.0022
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0044 0.0029
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0052 0.1216
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 1
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0409 0.3389 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0116 0.0116
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1178 1 1
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0409 0.3389 0.336
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0029
Entamoeba histolytica hypothetical protein 0.0769 0.6484 0.6472
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0012 0.0007
Brugia malayi Importin beta-1 subunit 0.0028 0.0116 0.0105
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0181 0.0148
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0181 0.0176
Echinococcus granulosus dUTP pyrophosphatase 0.1178 1 1
Echinococcus multilocularis musashi 0.0032 0.0147 0.0142
Loa Loa (eye worm) transcription factor SMAD2 0.0238 0.1914 0.1914
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.007 0.0036
Mycobacterium ulcerans aldehyde dehydrogenase 0.0247 0.1992 0.5835
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0034 0.0029
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0338 0.0333
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0302 0.2472 0.2463
Entamoeba histolytica hypothetical protein 0.1178 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0247 0.1992 0.5835
Schistosoma mansoni ran 0.0021 0.0052 0.004
Schistosoma mansoni importin beta-1 0.0028 0.0116 0.0105
Echinococcus multilocularis dna polymerase eta 0.0019 0.0034 0.0029
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0181 0.0138
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0247 0.1992 0.1988
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0409 0.3389 1
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0147 0.0135
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0409 0.3389 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.007 0.0036
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0338 0.0327
Loa Loa (eye worm) Smad1 0.0016 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0026 0.0093 0.0093
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0181 0.0439
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0338 0.0333
Echinococcus granulosus dna polymerase eta 0.0019 0.0034 0.0029
Schistosoma mansoni ap endonuclease 0.002 0.0044 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0338 0.0327
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0012 0.0007
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0409 0.3389 0.3366
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0034 0.0022
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0181 1
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.1178 1 1
Entamoeba histolytica hypothetical protein 0.0023 0.007 0.0036
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0052 0.1216
Loa Loa (eye worm) hypothetical protein 0.0294 0.2399 0.2399
Echinococcus granulosus Smad4 0.0016 0.0012 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0247 0.1992 0.5835
Schistosoma mansoni DNA polymerase eta 0.0019 0.0034 0.0022
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.004
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0052 0.0047
Echinococcus multilocularis lamin 0.0032 0.0147 0.0142
Echinococcus granulosus microtubule associated protein 2 0.0723 0.6084 0.6082
Entamoeba histolytica hypothetical protein 0.0769 0.6484 0.6472
Schistosoma mansoni aldehyde dehydrogenase 0.0247 0.1992 0.1982
Echinococcus multilocularis Smad4 0.0016 0.0012 0.0007
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0052 0.0008
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0181 0.0148
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0247 0.1992 0.1988
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0181 0.0753
Echinococcus multilocularis smad 0.0016 0.0012 0.0007
Leishmania major importin beta-1 subunit, putative 0.0023 0.007 0.0185
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0044 0.0659
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.0052
Schistosoma mansoni ran 0.0021 0.0052 0.004
Entamoeba histolytica hypothetical protein 0.1178 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0044 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0338 0.0327
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1178 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0044 0.0029
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0147 0.0147
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0181 0.0148
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1178 1 1
Plasmodium falciparum importin beta, putative 0.0028 0.0116 0.0073
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1178 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0093 0.4021
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0116 0.5578
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0044 0.001
Echinococcus granulosus smad 0.0016 0.0012 0.0007
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0052 0.0008
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0093 0.005
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0044 0.0039
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0093 0.005
Trichomonas vaginalis importin beta-1, putative 0.0023 0.007 0.0036
Echinococcus multilocularis lamin dm0 0.0032 0.0147 0.0142
Brugia malayi MH2 domain containing protein 0.0238 0.1914 0.1905
Plasmodium vivax importin-beta 2, putative 0.0028 0.0116 0.0073
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0044 0.0659
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0093 0.005
Leishmania major GTP-binding protein, putative 0.0021 0.0052 0.0092
Echinococcus granulosus intermediate filament protein 0.0032 0.0147 0.0142
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0034 0.0029
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0302 0.2472 0.2472
Schistosoma mansoni intermediate filament proteins 0.0032 0.0147 0.0135
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0338 0.0338
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0044 0.0032
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0052 0.0047
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0247 0.1992 0.5835
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0338 0.0327
Entamoeba histolytica Ran family GTPase 0.0021 0.0052 0.0018
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1178 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0181 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0247 0.1992 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0181 0.017
Echinococcus multilocularis snurportin 1 0.0302 0.2472 0.2468
Wolbachia endosymbiont of Brugia malayi dUTPase 0.1178 1 1
Echinococcus granulosus lamin 0.0032 0.0147 0.0142
Leishmania major hypothetical protein, conserved 0.0026 0.0093 0.0303
Loa Loa (eye worm) dUTP diphosphatase 0.1178 1 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0012 0.0007
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0052 0.1216
Loa Loa (eye worm) hypothetical protein 0.0032 0.0147 0.0147
Entamoeba histolytica hypothetical protein 0.0409 0.3389 0.3366
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0116 0.0111
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0044 0.001
Loa Loa (eye worm) inositol-1 0.0036 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0031 0.0142 0.0142
Echinococcus granulosus lamin dm0 0.0032 0.0147 0.0142
Echinococcus multilocularis microtubule associated protein 2 0.0723 0.6084 0.6082

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5011.8723 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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