Detailed information for compound 212689

Basic information

Technical information
  • TDR Targets ID: 212689
  • Name: 3-[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methy l]indolizin-8-yl]oxypropanoic acid
  • MW: 470.516 | Formula: C28H26N2O5
  • H donors: 2 H acceptors: 4 LogP: 5.1 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1c(Cc2ccccc2c2ccccc2)n2c(c1C(=O)C(=O)N)c(OCCC(=O)O)ccc2
  • InChi: 1S/C28H26N2O5/c1-2-20-22(17-19-11-6-7-12-21(19)18-9-4-3-5-10-18)30-15-8-13-23(35-16-14-24(31)32)26(30)25(20)27(33)28(29)34/h3-13,15H,2,14,16-17H2,1H3,(H2,29,34)(H,31,32)
  • InChiKey: WDVOBWSBTAJYAL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[2-ethyl-1-oxamoyl-3-[(2-phenylphenyl)methyl]-8-indolizinyl]oxy]propanoic acid
  • 3-[2-ethyl-1-oxamoyl-3-(2-phenylbenzyl)indolizin-8-yl]oxypropionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group IB (pancreas) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134661 All targets in OG5_134661
Onchocerca volvulus Phospholipase A2 homolog Get druggable targets OG5_134661 All targets in OG5_134661
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
Brugia malayi Phospholipase A2 family protein 0.0111 0.1743 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0358 0.6631 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0027 0.0086 0.013
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0063 0.0788 0.1073
Brugia malayi Probable ATP-dependent helicase DHX35 0.0102 0.1572 0.8969
Echinococcus multilocularis calpain A 0.0063 0.0788 0.1073
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0063 0.0788 0.1073
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0358 0.6631 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0063 0.0788 0.1073
Schistosoma mansoni hypothetical protein 0.0305 0.558 0.8394
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0027 0.0086 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0358 0.6631 1
Schistosoma mansoni hypothetical protein 0.0358 0.6631 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0358 0.6631 1
Echinococcus granulosus calpain A 0.0063 0.0788 0.1073
Brugia malayi Importin beta-1 subunit 0.0029 0.0107 0.0127
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0027 0.0086 0.013
Loa Loa (eye worm) hypothetical protein 0.006 0.0734 0.0654
Brugia malayi calpain family protein 1 0.006 0.0734 0.3913
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0305 0.558 0.5542
Loa Loa (eye worm) hypothetical protein 0.0044 0.042 0.0337
Onchocerca volvulus 0.0037 0.0284 0.02
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0107 0.0032
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0358 0.6631 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0107 0.0032
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0107 0.0032
Loa Loa (eye worm) hypothetical protein 0.0029 0.0107 0.0021
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0027 0.0086 0.013
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0027 0.0086 0.013
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.006 0.0734 0.0991
Loa Loa (eye worm) calpain family protein 1 0.0044 0.042 0.0337
Echinococcus multilocularis snurportin 1 0.0305 0.558 0.8394
Loa Loa (eye worm) hypothetical protein 0.0111 0.1743 0.1672
Onchocerca volvulus Phospholipase A2 homolog 0.0528 1 1
Echinococcus multilocularis calpain family protein 1, d 0.0044 0.042 0.051
Plasmodium vivax importin-beta 2, putative 0.0029 0.0107 1
Schistosoma mansoni importin beta-1 0.0029 0.0107 0.0032
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0027 0.0086 0.013
Loa Loa (eye worm) hypothetical protein 0.0102 0.1572 0.1499
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0358 0.6631 1
Entamoeba histolytica hypothetical protein, conserved 0.0358 0.6631 1
Onchocerca volvulus Phospholipase A2 homolog 0.0111 0.1743 0.1672
Loa Loa (eye worm) calpain family protein 1 0.006 0.0734 0.0654
Giardia lamblia Rrm3p helicase 0.0358 0.6631 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0107 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0358 0.6631 1
Trichomonas vaginalis conserved hypothetical protein 0.0358 0.6631 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0063 0.0788 0.1073
Echinococcus granulosus importin subunit beta 1 0.0029 0.0107 0.0032
Echinococcus granulosus snurportin 1 0.0305 0.558 0.8394
Loa Loa (eye worm) DEAH box polypeptide 35 0.0102 0.1572 0.1499
Brugia malayi calpain family protein 1 0.006 0.0734 0.3913
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0027 0.0086 0.013
Brugia malayi RNA, U transporter 1 0.0081 0.115 0.642
Loa Loa (eye worm) hypothetical protein 0.0037 0.0284 0.02
Loa Loa (eye worm) hypothetical protein 0.0053 0.0599 0.0518
Leishmania major eukaryotic initiation factor 4a, putative 0.0027 0.0086 0.013
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0358 0.6631 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0358 0.6631 1
Plasmodium falciparum importin beta, putative 0.0029 0.0107 1
Treponema pallidum ATP-dependent RNA helicase 0.0027 0.0086 0.5
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0027 0.0086 0.013
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0358 0.6631 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.044 uM Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay. ChEMBL. 8809154
IC50 (binding) = 0.044 uM Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay. ChEMBL. 8809154
IC50 (binding) = 0.13 uM Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC). ChEMBL. 8809154
IC50 (binding) = 0.13 uM Inhibitory activity against recombinant human secretory phospholipase A2 (s-PLA2) by phosphatidylcholine/deoxycholate assay (PC/DOC). ChEMBL. 8809154
IC50 (binding) = 0.24 uM Inhibition of recombinant human secretory phospholipase A2 (sPLA2), chromogenic screening assay. ChEMBL. 8809154

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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