Detailed information for compound 1400129

Basic information

Technical information
  • TDR Targets ID: 1400129
  • Name: 1-phenyl-3-(pyridin-4-ylmethylamino)pyrrolidi ne-2,5-dione
  • MW: 281.309 | Formula: C16H15N3O2
  • H donors: 1 H acceptors: 3 LogP: 0.83 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(C(=O)N1c1ccccc1)NCc1ccncc1
  • InChi: 1S/C16H15N3O2/c20-15-10-14(18-11-12-6-8-17-9-7-12)16(21)19(15)13-4-2-1-3-5-13/h1-9,14,18H,10-11H2
  • InChiKey: VLEUTQWKOOZXOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-phenyl-3-(4-pyridylmethylamino)pyrrolidine-2,5-dione
  • 1-phenyl-3-(4-pyridylmethylamino)pyrrolidine-2,5-quinone
  • SMR000104782
  • A1769/0074938
  • MLS000108832

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
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
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0476 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0422 0.6744
Brugia malayi CXXC zinc finger family protein 0.0035 0.0608 0.1007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.0588
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.0588
Giardia lamblia Hypothetical protein 0.0128 0.252 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0115 0.0144
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.061 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0608 0.0769
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Echinococcus granulosus importin subunit beta 1 0.0035 0.061 0.0579
Brugia malayi RNA, U transporter 1 0.0099 0.1923 0.3313
Brugia malayi Fibroblast growth factor family protein 0.0128 0.252 0.4359
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.0588
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0074 0.0042
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0074 0.0074
Leishmania major importin beta-1 subunit, putative 0.0028 0.0476 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0118 0.0113
Schistosoma mansoni importin-beta 2 0.0007 0.0033 0.0033
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5738 0.5724
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0085
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.7501 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0476 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0422 0.6744
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.0588
Entamoeba histolytica hypothetical protein 0.0028 0.0476 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.061 0.0773
Echinococcus multilocularis cpg binding protein 0.0037 0.0648 0.0617
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0476 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.0588
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0042
Brugia malayi Fibroblast growth factor family protein 0.0128 0.252 0.4359
Trichomonas vaginalis helicase, putative 0.0008 0.0059 0.0588
Trichomonas vaginalis ran, putative 0.0026 0.0422 0.8795
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Schistosoma mansoni survival motor neuron protein 0.0058 0.1089 0.1089
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0422 0.0391
Loa Loa (eye worm) hypothetical protein 0.0128 0.252 0.3331
Schistosoma mansoni importin beta-1 0.0035 0.061 0.061
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1089 0.1852
Schistosoma mansoni hypothetical protein 0.0058 0.1089 0.1089
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.0588
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0476 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Schistosoma mansoni ran 0.0026 0.0422 0.0422
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.061 0.4776
Schistosoma mansoni ran 0.0026 0.0422 0.0422
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0422 0.0683
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0422 0.6744
Onchocerca volvulus 0.0058 0.1089 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.5738 0.764
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.061 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0422 0.3221
Loa Loa (eye worm) hypothetical protein 0.0128 0.252 0.3331
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1403 0.1403
Entamoeba histolytica Ran family GTPase 0.0026 0.0422 0.8795
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1242 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.061 0.0579
Echinococcus multilocularis snurportin 1 0.0372 0.7501 0.7492
Brugia malayi hypothetical protein 0.0286 0.5738 1
Leishmania major GTP-binding protein, putative 0.0026 0.0422 0.8795
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0074 0.0042
Echinococcus granulosus snurportin 1 0.0372 0.7501 0.7492
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0059 0.0588
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0085
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0059 0.0588
Brugia malayi Importin beta-1 subunit 0.0035 0.061 0.1012
Echinococcus granulosus cpg binding protein 0.0037 0.0648 0.0617
Plasmodium vivax importin-beta 2, putative 0.0035 0.061 1
Schistosoma mansoni hypothetical protein 0.0372 0.7501 0.7501
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0422 0.0521
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0059 0.0588
Plasmodium falciparum importin beta, putative 0.0035 0.061 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5738 0.5724
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0422 0.0391
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0042
Schistosoma mansoni cpg binding protein 0.0035 0.0608 0.0608

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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