Detailed information for compound 1529826

Basic information

Technical information
  • TDR Targets ID: 1529826
  • Name: [2-(ethyl-phenylamino)-2-oxoethyl] 1-thiophen -2-ylsulfonylpiperidine-4-carboxylate
  • MW: 436.545 | Formula: C20H24N2O5S2
  • H donors: 0 H acceptors: 4 LogP: 2.88 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccccc1)C(=O)COC(=O)C1CCN(CC1)S(=O)(=O)c1cccs1
  • InChi: 1S/C20H24N2O5S2/c1-2-22(17-7-4-3-5-8-17)18(23)15-27-20(24)16-10-12-21(13-11-16)29(25,26)19-9-6-14-28-19/h3-9,14,16H,2,10-13,15H2,1H3
  • InChiKey: BECLOAAJCBMPTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(ethyl-phenyl-amino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate
  • 1-(2-thienylsulfonyl)-4-piperidinecarboxylic acid [2-(ethyl-phenylamino)-2-oxoethyl] ester
  • 1-(2-thienylsulfonyl)isonipecotic acid [2-(ethyl-phenyl-amino)-2-keto-ethyl] ester
  • [2-(ethyl-phenyl-amino)-2-oxo-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
  • T5240551
  • ZINC02647338
  • MLS000761429
  • SMR000370338

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 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
Plasmodium vivax importin-beta 2, putative 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
Neospora caninum hypothetical protein 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
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 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 importin beta-1 subunit, putative 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
Giardia lamblia 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
Cryptosporidium parvum importin/karyopherin 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis snurportin 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative 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
Trichomonas vaginalis 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
Echinococcus multilocularis GTP binding nuclear protein Ran 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
Leishmania mexicana importin beta-1 subunit, 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit 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
Echinococcus multilocularis importin subunit beta 1 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 yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum 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
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis 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
Schistosoma mansoni importin beta-1 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
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta 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
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 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
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative 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
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 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
Trichomonas vaginalis ran, putative 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
Neospora caninum GTP-binding nuclear protein Ran, related 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major GTP-binding protein, putative 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
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 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
Schistosoma mansoni ran 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
Plasmodium knowlesi importin beta, 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
Leishmania donovani 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
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 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
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
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
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0018 0.1997
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0018 0.1997
Brugia malayi hypothetical protein 0.0072 0.0089 0.6274
Brugia malayi spermatogenesis associated 11 0.0072 0.0089 0.6274
Echinococcus multilocularis snurportin 1 0.0372 0.0669 1
Loa Loa (eye worm) spermatogenesis associated 11 0.0072 0.0089 0.133
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0018 0.1997
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Echinococcus multilocularis nucleic acid binding 0.0072 0.0089 0.133
Toxoplasma gondii hypothetical protein 0.0072 0.0089 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0669 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0005 0.0566
Loa Loa (eye worm) ALKBH protein 0.0072 0.0089 0.133
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0005 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0018 0.1253
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Brugia malayi ALKBH protein 0.0072 0.0089 0.6274
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Trypanosoma cruzi alkylated DNA repair protein, putative 0.0072 0.0089 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0018 1
Leishmania major hypothetical protein, conserved 0.0072 0.0089 1
Schistosoma mansoni importin beta-1 0.0035 0.0018 0.0266
Leishmania major importin beta-1 subunit, putative 0.0028 0.0005 0.0566
Loa Loa (eye worm) hypothetical protein 0.0072 0.0089 0.133
Onchocerca volvulus 0.0072 0.0089 0.5
Echinococcus granulosus nucleic acid binding 0.0072 0.0089 0.133
Loa Loa (eye worm) hypothetical protein 0.0072 0.0089 0.133
Leishmania major hypothetical protein, conserved 0.0072 0.0089 1
Entamoeba histolytica hypothetical protein 0.0028 0.0005 1
Schistosoma mansoni hypothetical protein 0.0072 0.0089 0.133
Echinococcus granulosus alkylated DNA repair protein alkB 0.0072 0.0089 0.133
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.0018 0.0266
Leishmania major hypothetical protein, conserved 0.0072 0.0089 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Schistosoma mansoni nucleic acid binding 0.0072 0.0089 0.133
Echinococcus multilocularis conserved hypothetical protein 0.0072 0.0089 0.133
Onchocerca volvulus Alkylated DNA repair protein alkB homolog 0.0072 0.0089 0.5
Schistosoma mansoni nucleic acid binding 0.0072 0.0089 0.133
Leishmania major hypothetical protein, conserved 0.0072 0.0089 1
Schistosoma mansoni hypothetical protein 0.0372 0.0669 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0018 0.0266
Plasmodium falciparum importin beta, putative 0.0035 0.0018 1
Echinococcus granulosus snurportin 1 0.0372 0.0669 1
Trypanosoma brucei Alkylated DNA repair protein (alkB homolog), putative 0.0072 0.0089 1
Trypanosoma brucei 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.52 1 0.5
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0018 0.0266
Onchocerca volvulus 0.0072 0.0089 0.5
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0 0.5
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1
Brugia malayi RNA, U transporter 1 0.0099 0.0142 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0005 1
Mycobacterium ulcerans hypothetical protein 0.52 1 0.5
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0005 1
Trypanosoma cruzi 2OG-Fe(II) oxygenase superfamily, putative 0.0072 0.0089 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.636 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) 4.6535 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No 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

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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