Detailed information for compound 1305653

Basic information

Technical information
  • TDR Targets ID: 1305653
  • Name: 4-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzoic aci d
  • MW: 249.262 | Formula: C13H15NO4
  • H donors: 1 H acceptors: 3 LogP: 0.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCN1CCOc1ccc(cc1)C(=O)O
  • InChi: 1S/C13H15NO4/c15-12-2-1-7-14(12)8-9-18-11-5-3-10(4-6-11)13(16)17/h3-6H,1-2,7-9H2,(H,16,17)
  • InChiKey: ASBZZVKNXFBYOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(2-oxo-1-pyrrolidinyl)ethoxy]benzoic acid
  • 4-[2-(2-ketopyrrolidin-1-yl)ethoxy]benzoic acid
  • SBB011917
  • 4-[2-(2-Oxo-pyrrolidin-1-yl)-ethoxy]-benzoic acid
  • ASN 13775975
  • MLS001208873
  • SMR000525118

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
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 phopsphatidylinositol 3-kinase, drosophila, putative 0.0053 0.0322 0.0742
Echinococcus multilocularis Zinc finger, PHD finger 0.0053 0.0322 0.032
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1269 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0053 0.0322 0.032
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0053 0.0322 0.0742
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.7342 0.7317
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 1 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0053 0.0322 0.5515
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0057 0.0584 1
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0053 0.0322 0.5515
Entamoeba histolytica hypothetical protein 0.0053 0.0322 0.2539
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1269 1
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0069 0.1269 0.1267
Loa Loa (eye worm) TK/EGFR protein kinase 0.0153 0.6051 0.6015
Schistosoma mansoni tyrosine kinase 0.0082 0.1997 0.1925
Brugia malayi Furin-like cysteine rich region family protein 0.0153 0.6051 0.6015
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0322 0.2539
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0053 0.0322 0.0742
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0069 0.1269 0.119
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0221 1 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0053 0.0322 0.0234
Leishmania major phosphatidylinositol 4-kinase, putative 0.0057 0.0584 0.2767
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0221 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0082 0.1997 0.1996
Echinococcus multilocularis epidermal growth factor receptor 0.0153 0.6051 0.605
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0057 0.0584 0.2767
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0053 0.0322 0.0742
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0322 0.0234
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0053 0.0322 0.0742
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0053 0.0322 0.1296
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1269 1
Schistosoma mansoni tyrosine kinase 0.0081 0.1948 0.1875
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0053 0.0322 0.0742
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0069 0.1269 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0322 0.0234
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0053 0.0322 0.0742
Onchocerca volvulus 0.0221 1 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0049 0.009 0.0088
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0322 0.2539
Echinococcus granulosus epidermal growth factor receptor 0.0082 0.1997 0.1925
Loa Loa (eye worm) acetyltransferase 0.0175 0.7342 0.7317
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0053 0.0322 0.0234
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0053 0.0322 0.0234
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0069 0.1269 0.119
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.7342 0.7341
Schistosoma mansoni tyrosine kinase 0.0081 0.1948 0.1875
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0221 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.7342 0.7317
Loa Loa (eye worm) phosphatidylinositol 3 0.0057 0.0584 0.0499
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0053 0.0322 0.0234
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0221 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0221 1 1
Giardia lamblia Phosphatidylinositol 4-kinase 0.0057 0.0584 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0322 0.0234
Onchocerca volvulus 0.0221 1 0.5
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0069 0.1269 0.119
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0322 0.2539
Schistosoma mansoni tyrosine kinase 0.0082 0.1997 0.1925
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0221 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0053 0.0322 0.0234
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0057 0.0584 0.2767
Loa Loa (eye worm) phosphatidylinositol 3 0.0053 0.0322 0.0234
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0053 0.0322 0.0234
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0322 0.2539
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0078 0.1742 1
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0069 0.1269 0.119
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0053 0.0322 0.032
Loa Loa (eye worm) phosphatidylinositol kinase 0.0221 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0246 0.0831
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0057 0.0584 0.2767
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0069 0.1269 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0053 0.0322 0.2539
Schistosoma mansoni tyrosine kinase 0.0153 0.6051 0.6015
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0053 0.0322 0.0742
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0246 0.0158
Loa Loa (eye worm) hypothetical protein 0.0221 1 1
Schistosoma mansoni tyrosine kinase 0.0081 0.1948 0.1875
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0057 0.0584 0.0499
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0053 0.0322 0.2539
Echinococcus granulosus epidermal growth factor receptor 0.0153 0.6051 0.6015
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0053 0.0322 0.2247
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0246 0.0831
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0069 0.1269 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0057 0.0584 0.0499
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0053 0.0322 0.0234
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0057 0.0584 0.0499
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0053 0.0322 0.0742
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0069 0.1269 1
Echinococcus multilocularis insulin receptor 0.0049 0.009 0.0088
Echinococcus multilocularis 0.0057 0.0584 0.0582
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0057 0.0584 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.706 0.7033
Loa Loa (eye worm) phosphatidylinositol 3 0.0221 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0082 0.1997 0.1925

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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
Homo sapiens 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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