Detailed information for compound 1255808

Basic information

Technical information
  • TDR Targets ID: 1255808
  • Name: N-[2-[(2-methoxy-5-morpholin-4-ylsulfonylphen yl)amino]-2-oxoethyl]thiophene-2-carboxamide
  • MW: 439.506 | Formula: C18H21N3O6S2
  • H donors: 2 H acceptors: 4 LogP: 0.86 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CNC(=O)c1cccs1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C18H21N3O6S2/c1-26-15-5-4-13(29(24,25)21-6-8-27-9-7-21)11-14(15)20-17(22)12-19-18(23)16-3-2-10-28-16/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)(H,20,22)
  • InChiKey: XLCQUELECGFHQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(2-methoxy-5-morpholinosulfonyl-phenyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide
  • N-[2-[(2-methoxy-5-morpholinosulfonylphenyl)amino]-2-oxoethyl]-2-thiophenecarboxamide
  • N-[2-keto-2-[(2-methoxy-5-morpholinosulfonyl-phenyl)amino]ethyl]thiophene-2-carboxamide
  • N-[2-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxo-ethyl]thiophene-2-carboxamide
  • T5382261

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 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
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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
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
Neospora caninum GTP-binding nuclear protein Ran, related 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
Trypanosoma brucei importin beta-1 subunit, 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
Entamoeba histolytica Ran family GTPase 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
Leishmania donovani GTP-binding protein, putative 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
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis 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
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, 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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Plasmodium falciparum importin beta, 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni 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
Cryptosporidium parvum importin/karyopherin 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
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 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 brucei gambiense importin beta-1 subunit, 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
Leishmania donovani importin beta-1 subunit, putative 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
Candida albicans Ran, Ras family GTP-binding protein 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
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin 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
Babesia bovis importin beta 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
Brugia malayi Importin beta-1 subunit 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
Theileria parva importin beta, putative 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 major GTP-binding protein, 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
Leishmania braziliensis importin beta-1 subunit, putative 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
Plasmodium knowlesi 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
Loa Loa (eye worm) hypothetical protein 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
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 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
Trypanosoma cruzi GTP-binding nuclear protein rtb2, 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
Plasmodium berghei 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
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, 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 yoelii importin beta-1 subunit 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 Snurportin-1, putative 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0024 0.0082
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0082
Schistosoma mansoni sodium/solute symporter 0.1613 0.2518 0.2512
Echinococcus granulosus snurportin 1 0.0372 0.0546 0.0538
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0024 1
Onchocerca volvulus 0.0043 0.0024 0.0065
Echinococcus multilocularis high affinity choline transporter 1 0.1613 0.2518 0.2512
Mycobacterium ulcerans lipase LipD 0.0043 0.0024 0.5
Echinococcus granulosus sodium:myo inositol cotransporter 0.6323 1 1
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0052 0.0038 0.0139
Loa Loa (eye worm) glutamate receptor 0.0052 0.0038 0.0139
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0024 0.0016
Mycobacterium ulcerans hypothetical protein 0.0043 0.0024 0.5
Schistosoma mansoni importin beta-1 0.0035 0.001 0.0003
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0396 1
Brugia malayi beta-lactamase family protein 0.0043 0.0024 0.0082
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1511 0.1504
Schistosoma mansoni metabotropic glutamate receptor 0.0669 0.1018 0.1011
Toxoplasma gondii ABC1 family protein 0.0043 0.0024 0.0082
Echinococcus multilocularis sodium:myo inositol cotransporter 0.6323 1 1
Echinococcus granulosus importin subunit beta 1 0.0035 0.001 0.0003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0024 0.0016
Loa Loa (eye worm) hypothetical protein 0.1613 0.2518 1
Brugia malayi beta-lactamase family protein 0.0043 0.0024 0.0082
Trichomonas vaginalis esterase, putative 0.0043 0.0024 1
Onchocerca volvulus 0.0043 0.0024 0.0065
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0024 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0024 1
Brugia malayi RNA, U transporter 1 0.0099 0.0112 0.0433
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0024 1
Onchocerca volvulus 0.1613 0.2518 1
Echinococcus multilocularis snurportin 1 0.0372 0.0546 0.0538
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.001 0.336
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.001 0.0028
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0004 0.1446
Brugia malayi Sodium:solute symporter family protein 0.1613 0.2518 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0024 0.0082
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.008 0.0083 0.0075
Loa Loa (eye worm) hypothetical protein 0.01 0.0113 0.0437
Plasmodium vivax importin-beta 2, putative 0.0035 0.001 0.336
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0024 0.0016
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0082
Mycobacterium leprae Probable lipase LipE 0.0043 0.0024 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0024 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0038 0.0139
Echinococcus granulosus solute carrier family 5 0.6323 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0082
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0033 0.0008 0.0017
Loa Loa (eye worm) hypothetical protein 0.0035 0.001 0.0028
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0052 0.0038 0.0139
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0024 0.0016
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0024 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0024 1
Brugia malayi metabotropic glutamate receptor type 2 0.01 0.0113 0.0437
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.001 0.336
Schistosoma mansoni inositol transporter 0.6323 1 1
Brugia malayi Receptor family ligand binding region containing protein 0.0052 0.0038 0.0139
Schistosoma mansoni hypothetical protein 0.0372 0.0546 0.0538
Loa Loa (eye worm) hypothetical protein 0.0033 0.0008 0.0017
Loa Loa (eye worm) beta-lactamase 0.0043 0.0024 0.0082
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0024 1
Schistosoma mansoni inositol transporter 0.6323 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0024 0.5
Echinococcus multilocularis solute carrier family 5 0.6323 1 1
Echinococcus multilocularis sodium:glucose cotransporter 2 0.6323 1 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0024 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0082
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0082
Brugia malayi GH02984p 0.1613 0.2518 1
Echinococcus granulosus high affinity choline transporter 1 0.1613 0.2518 0.2512
Loa Loa (eye worm) hypothetical protein 0.1613 0.2518 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.01 0.0113 0.0106
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.1613 0.2518 0.2512
Leishmania major hypothetical protein, conserved 0.0043 0.0024 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.0546 0.2156
Echinococcus granulosus sodium:glucose cotransporter 2 0.6323 1 1
Leishmania major hypothetical protein, conserved 0.003 0.0004 0.1446
Brugia malayi beta-lactamase 0.0043 0.0024 0.0082
Loa Loa (eye worm) glutamate receptor 0.008 0.0083 0.0316
Echinococcus multilocularis importin subunit beta 1 0.0035 0.001 0.0003
Mycobacterium ulcerans beta-lactamase 0.0043 0.0024 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0024 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0024 0.5
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0033 0.0008 0.0017
Loa Loa (eye worm) hypothetical protein 0.0043 0.0024 0.0082
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.1613 0.2518 0.2512
Brugia malayi Metabotropic glutamate receptor precursor. 0.0052 0.0038 0.0139
Onchocerca volvulus 0.0043 0.0024 0.0065
Brugia malayi Importin beta-1 subunit 0.0035 0.001 0.0028
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.1613 0.2518 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.01 0.0113 0.0106
Plasmodium falciparum importin beta, putative 0.0035 0.001 1
Schistosoma mansoni high-affinity choline transporter 0.1613 0.2518 0.2512
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0004 0.1446

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0053 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 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
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.581 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) 16.3535 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 79.4328 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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