Detailed information for compound 1536622

Basic information

Technical information
  • TDR Targets ID: 1536622
  • Name: N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonyl -5-oxopyrrolidine-2-carboxamide
  • MW: 340.395 | Formula: C15H20N2O5S
  • H donors: 1 H acceptors: 4 LogP: 0.51 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNC(=O)C1CCC(=O)N1S(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C15H20N2O5S/c1-11-3-5-12(6-4-11)23(20,21)17-13(7-8-14(17)18)15(19)16-9-10-22-2/h3-6,13H,7-10H2,1-2H3,(H,16,19)
  • InChiKey: VDKHFUUELJZSHO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonyl-5-oxo-pyrrolidine-2-carboxamide
  • N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxamide
  • 5-keto-N-(2-methoxyethyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide
  • BAS 08979932
  • 5-Oxo-1-(toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid (2-methoxy-ethyl)-amide
  • MLS001210059
  • SMR000524402

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0031 0.0072 0.008
Schistosoma mansoni hypothetical protein 0.0031 0.0072 0.008
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0189 0.2081 0.4561
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0042 0.0207 0.0454
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.013 0.013
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0072 0.0157
Entamoeba histolytica hypothetical protein 0.0036 0.013 0.6283
Echinococcus multilocularis GPCR, family 2 0.0031 0.0072 0.0072
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0383 0.4563 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0935 0.205
Entamoeba histolytica hypothetical protein 0.0036 0.013 0.6283
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0536 0.1174
Loa Loa (eye worm) hypothetical protein 0.0068 0.0536 0.1174
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0042 0.0207 0.0454
Mycobacterium leprae PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0093 0.0859 0.5
Echinococcus granulosus GPCR family 2 0.0031 0.0072 0.0157
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0042 0.0207 0.0207
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0383 0.4563 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0935 0.205
Schistosoma mansoni hypothetical protein 0.0068 0.0536 0.06
Brugia malayi DOMON domain containing protein 0.0073 0.0608 0.1333
Schistosoma mansoni hypothetical protein 0.0031 0.0072 0.008
Loa Loa (eye worm) hypothetical protein 0.0383 0.4563 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0042 0.0207 0.1003
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0072 0.0157
Loa Loa (eye worm) hypothetical protein 0.0031 0.0072 0.0157
Mycobacterium ulcerans DNA-3-methyladenine glycosylase I TagA 0.0187 0.2065 0.5
Brugia malayi DOMON domain containing protein 0.0073 0.0608 0.1333
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0042 0.0207 1
Entamoeba histolytica hypothetical protein 0.0036 0.013 0.6283
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0026 0 0.5
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0026 0 0.5
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0042 0.0207 1
Brugia malayi DOMON domain containing protein 0.0073 0.0608 0.1333
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0935 0.205
Loa Loa (eye worm) DOMON domain-containing protein 0.0073 0.0608 0.1333
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0026 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.013 0.0285
Onchocerca volvulus 0.0073 0.0608 0.5
Mycobacterium tuberculosis Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g 0.0093 0.0859 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.0935 0.205
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0072 0.0072
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0072 0.0157
Schistosoma mansoni hypothetical protein 0.0031 0.0072 0.008
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0072 0.0157
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0042 0.0207 1
Onchocerca volvulus 0.0073 0.0608 0.5
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0042 0.0207 1
Schistosoma mansoni peptidylglycine monooxygenase 0.0383 0.4563 0.5108
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0042 0.0207 0.0454
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0383 0.4563 0.4563
Entamoeba histolytica hypothetical protein 0.0036 0.013 0.6283
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.013 0.0146
Loa Loa (eye worm) DOMON domain-containing protein 0.0073 0.0608 0.1333
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0383 0.4563 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0383 0.4563 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0194 0.2154 0.4721
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0042 0.0207 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0072 0.0072
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0187 0.2065 1
Schistosoma mansoni hypothetical protein 0.0036 0.013 0.0146
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0026 0 0.5
Schistosoma mansoni dopamine-beta-monooxygenase 0.0725 0.8932 1
Brugia malayi hypothetical protein 0.0036 0.013 0.0285
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0072 0.0157
Trichomonas vaginalis DNA-3-methyladenine glycosylase, putative 0.0187 0.2065 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0042 0.0207 0.0232
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0383 0.4563 0.5108
Loa Loa (eye worm) DOMON domain-containing protein 0.0073 0.0608 0.1333
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0042 0.0207 0.1003

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) 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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