Detailed information for compound 683249

Basic information

Technical information
  • TDR Targets ID: 683249
  • Name: [2-[(2-chlorophenyl)amino]-2-oxoethyl] 3-acet ylindolizine-1-carboxylate
  • MW: 370.786 | Formula: C19H15ClN2O4
  • H donors: 1 H acceptors: 3 LogP: 3.9 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)COC(=O)c1cc(n2c1cccc2)C(=O)C
  • InChi: 1S/C19H15ClN2O4/c1-12(23)17-10-13(16-8-4-5-9-22(16)17)19(25)26-11-18(24)21-15-7-3-2-6-14(15)20/h2-10H,11H2,1H3,(H,21,24)
  • InChiKey: XYZQXLRBWJLMMT-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-[(2-chlorophenyl)amino]-2-oxo-ethyl] 3-acetylindolizine-1-carboxylate
  • 3-acetyl-1-indolizinecarboxylic acid [2-[(2-chlorophenyl)amino]-2-oxoethyl] ester
  • 3-acetylindolizine-1-carboxylic acid [2-[(2-chlorophenyl)amino]-2-keto-ethyl] ester
  • [2-[(2-chlorophenyl)amino]-2-oxo-ethyl] 3-ethanoylindolizine-1-carboxylate

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.027 0.8748
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0077 0.2864
Brugia malayi Pre-SET motif family protein 0.0437 0.2616 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0077 0.0296
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0077 0.2864
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0077 0.2506
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0077 0.0296
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.0509 0.1946
Plasmodium falciparum peptide deformylase 0.1617 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.027 1
Trichomonas vaginalis set domain proteins, putative 0.0498 0.2994 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0077 0.0296
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.027 0.8748
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0077 0.0296
Echinococcus multilocularis GPCR, family 2 0.0032 0.0077 0.2864
Schistosoma mansoni hypothetical protein 0.0032 0.0077 0.2506
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.1617 1 0.5
Mycobacterium ulcerans peptide deformylase 0.1617 1 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0617 0.374 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.027 1
Onchocerca volvulus 0.0498 0.2994 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.1617 1 1
Schistosoma mansoni hypothetical protein 0.0032 0.0077 0.2506
Plasmodium vivax SET domain protein, putative 0.0063 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0101 0.0509 0.1946
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0617 0.374 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.027 0.8748
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.0509 0.1946
Brugia malayi Pre-SET motif family protein 0.0063 0.027 0.1034
Trypanosoma brucei Peptide deformylase 2 0.0617 0.374 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.027 0.027
Trypanosoma brucei Polypeptide deformylase 1 0.0617 0.374 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0256 0.9466
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0077 0.2864
Toxoplasma gondii hypothetical protein 0.1617 1 1
Leishmania major polypeptide deformylase-like protein, putative 0.0617 0.374 1
Echinococcus granulosus GPCR family 2 0.0032 0.0077 0.2864
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0309 0.1182
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.027 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0437 0.2616 1
Schistosoma mansoni hypothetical protein 0.0069 0.0309 1
Schistosoma mansoni hypothetical protein 0.0032 0.0077 0.2506
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0617 0.374 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0077 0.2864
Trypanosoma cruzi Peptide deformylase 2, putative 0.0617 0.374 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.027 0.1034
Loa Loa (eye worm) hypothetical protein 0.0069 0.0309 0.1182
Plasmodium vivax peptide deformylase, putative 0.1617 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.0509 0.1946
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.027 0.8748
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.1617 1 1
Treponema pallidum polypeptide deformylase (def) 0.1617 1 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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