Detailed information for compound 1280097

Basic information

Technical information
  • TDR Targets ID: 1280097
  • Name: N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]p henyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrol idine-3-carboxamide
  • MW: 493.578 | Formula: C25H27N5O4S
  • H donors: 2 H acceptors: 6 LogP: 2.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CN1CC(CC1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)nc(n1)C
  • InChi: 1S/C25H27N5O4S/c1-16-4-6-19(7-5-16)14-30-15-20(13-24(30)31)25(32)28-21-8-10-22(11-9-21)35(33,34)29-23-12-17(2)26-18(3)27-23/h4-12,20H,13-15H2,1-3H3,(H,28,32)(H,26,27,29)
  • InChiKey: RHPTXYQLSDCNMH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]-5-oxo-pyrrolidine-3-carboxamide
  • N-[4-[(2,6-dimethyl-4-pyrimidinyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinecarboxamide
  • N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carboxamide
  • MLS000053583
  • SMR000066550
  • MLS000864023
  • T5498258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum importin beta-1 subunit, putative 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 knowlesi GTP-binding nuclear protein RAN/TC4, 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
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 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
Theileria parva 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
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein 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
Neospora caninum hypothetical protein 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
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related 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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 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
Giardia lamblia GTP-binding nuclear protein RAN/TC4 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
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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative 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
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
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
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, 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
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani 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
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 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
Trypanosoma cruzi importin beta-1 subunit, 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative 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
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0532 0.6844
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0532 0.0509
Trichomonas vaginalis DNA helicase recq, putative 0.0027 0.0569 0.9442
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0532 0.811
Schistosoma mansoni DNA helicase recq5 0.0011 0.0146 0.0149
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.9768 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0777 1
Schistosoma mansoni hypothetical protein 0.0372 0.9768 1
Brugia malayi Bloom's syndrome protein homolog 0.0027 0.0569 0.2212
Leishmania major GTP-binding protein, putative 0.0026 0.0532 0.8795
Echinococcus granulosus snurportin 1 0.0372 0.9768 0.9767
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0602 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0146 0.0495
Schistosoma mansoni ran 0.0026 0.0532 0.0545
Trichomonas vaginalis DNA helicase recq, putative 0.0014 0.0234 0.3628
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0777 0.0755
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0532 0.206
Loa Loa (eye worm) hypothetical protein 0.0056 0.1334 0.1345
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0011 0.0146 0.0122
Loa Loa (eye worm) RecQ helicase 0.0027 0.0569 0.056
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0777 1
Echinococcus multilocularis bloom syndrome protein 0.0027 0.0569 0.0547
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0011 0.0146 0.0122
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0146 0.1878
Brugia malayi RNA, U transporter 1 0.0099 0.2491 1
Echinococcus granulosus bloom syndrome protein 0.0027 0.0569 0.0547
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0011 0.0146 0.0122
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0532 0.0509
Toxoplasma gondii HEAT repeat-containing protein 0.0007 0.0024 0.0309
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0532 0.6744
Entamoeba histolytica Ran family GTPase 0.0026 0.0532 0.8843
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.1334 0.1366
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0418 0.0428
Brugia malayi Importin beta-1 subunit 0.0035 0.0777 0.3055
Schistosoma mansoni ran 0.0026 0.0532 0.0545
Loa Loa (eye worm) hypothetical protein 0.0011 0.0146 0.0125
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0024 0.0482 0.6077
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0777 1
Schistosoma mansoni importin beta-1 0.0035 0.0777 0.0796
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0602 1
Echinococcus multilocularis snurportin 1 0.0372 0.9768 0.9767
Leishmania major importin beta-1 subunit, putative 0.0028 0.0602 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0011 0.0146 0.1619
Plasmodium falciparum importin beta, putative 0.0035 0.0777 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0146 0.0495
Schistosoma mansoni importin-beta 2 0.0007 0.0024 0.0025
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0532 0.0521
Onchocerca volvulus 0.0056 0.1334 0.5
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0532 0.6744
Entamoeba histolytica hypothetical protein 0.0028 0.0602 1
Treponema pallidum ATP-dependent DNA helicase 0.0006 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0777 0.0773
Schistosoma mansoni DNA helicase recq1 0.0011 0.0146 0.0149
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0602 1
Entamoeba histolytica recQ family helicase, putative 0.0014 0.0234 0.3882
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0146 0.1878
Plasmodium vivax importin-beta 2, putative 0.0035 0.0777 1
Toxoplasma gondii HEAT repeat-containing protein 0.0007 0.0024 0.0309
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0018 0.033 0.4247
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0602 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0532 0.811
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0234 0.2781
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0014 0.0234 0.3628
Loa Loa (eye worm) hypothetical protein 0.0136 0.3479 0.3546
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0011 0.0146 0.0125
Echinococcus multilocularis tumor protein p63 0.038 1 1
Trichomonas vaginalis ran, putative 0.0026 0.0532 0.8795
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0532 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0018 0.0336 0.414
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0011 0.0146 0.0122
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0532 0.6744
Entamoeba histolytica HEAT repeat domain containing protein 0.0007 0.0024 0.0399
Echinococcus granulosus importin subunit beta 1 0.0035 0.0777 0.0755
Trichomonas vaginalis DNA helicase recq1, putative 0.0027 0.0569 0.9442

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3696 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) 0.8199 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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