Detailed information for compound 1549536

Basic information

Technical information
  • TDR Targets ID: 1549536
  • Name: 2-(2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidi n-1-yl)propyl]acetamide
  • MW: 344.362 | Formula: C18H20N2O5
  • H donors: 1 H acceptors: 3 LogP: 1.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc2c(c1)oc(=O)cc2)NCCCN1CCCC1=O
  • InChi: 1S/C18H20N2O5/c21-16(19-8-2-10-20-9-1-3-17(20)22)12-24-14-6-4-13-5-7-18(23)25-15(13)11-14/h4-7,11H,1-3,8-10,12H2,(H,19,21)
  • InChiKey: AQIYJWBJELGVRK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2-oxo-7-chromenyl)oxy]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
  • 2-(2-ketochromen-7-yl)oxy-N-[3-(2-ketopyrrolidin-1-yl)propyl]acetamide
  • 2-(2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanamide
  • ZINC05272523

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 rab6-interacting 0.0068 0.0286 0.0122
Echinococcus granulosus lipoxygenase domain containing protein 0.0068 0.0286 0.0189
Plasmodium falciparum LCCL domain-containing protein 0.0068 0.0286 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0194 0.0068
Echinococcus granulosus RUN 0.0068 0.0286 0.0189
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.1141 0.1321
Loa Loa (eye worm) doublecortin family protein 0.0068 0.0286 0.0332
Onchocerca volvulus 0.0068 0.0286 0.0095
Loa Loa (eye worm) hypothetical protein 0.0073 0.0394 0.0456
Echinococcus multilocularis geminin 0.0184 0.2853 0.35
Schistosoma mansoni loxhd1 0.0068 0.0286 0.0122
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0946 0.099
Echinococcus granulosus macrophage expressed protein 0.0342 0.6351 0.8116
Echinococcus multilocularis macrophage expressed protein 0.0342 0.6351 0.8103
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0407 0.7793 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0394 0.0456
Brugia malayi hypothetical protein 0.0068 0.0286 0.0332
Brugia malayi Pre-SET motif family protein 0.0445 0.8638 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0242 0.4145 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0946 0.1052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0946 0.099
Echinococcus multilocularis lipoxygenase domain containing protein 0.0068 0.0286 0.0122
Echinococcus multilocularis Polycystic kidney disease protein 0.0068 0.0286 0.0122
Schistosoma mansoni polycystin 1-related 0.0068 0.0286 0.0122
Loa Loa (eye worm) hypothetical protein 0.0068 0.0286 0.0332
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0946 0.099
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0194 0.5
Brugia malayi Pre-SET motif family protein 0.0064 0.0194 0.0224
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0445 0.8638 1
Schistosoma mansoni hypothetical protein 0.0073 0.0394 0.0263
Echinococcus granulosus geminin 0.0184 0.2853 0.3544
Schistosoma mansoni hypothetical protein 0.0342 0.6351 0.8103
Onchocerca volvulus 0.0068 0.0286 0.0095
Brugia malayi Doublecortin family protein 0.0068 0.0286 0.0332
Loa Loa (eye worm) hypothetical protein 0.0064 0.0194 0.0224
Plasmodium vivax multidomain scavenger receptor, putative 0.0068 0.0286 1
Schistosoma mansoni hypothetical protein 0.0184 0.2853 0.35
Loa Loa (eye worm) hypothetical protein 0.0107 0.1141 0.1321
Schistosoma mansoni hypothetical protein 0.0184 0.2853 0.35
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.1141 0.1321
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.0946 0.099
Schistosoma mansoni lipoxygenase 0.0284 0.5081 0.6431
Echinococcus multilocularis lipoxygenase domain containing protein 0.0068 0.0286 0.0122
Loa Loa (eye worm) hypothetical protein 0.0068 0.0286 0.0332
Schistosoma mansoni rab6-interacting 0.0068 0.0286 0.0122
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.0946 0.1096
Echinococcus granulosus lipoxygenase domain containing protein 0.0068 0.0286 0.0189
Echinococcus granulosus Polycystic kidney disease protein 0.0068 0.0286 0.0189
Schistosoma mansoni lipoxygenase 0.0407 0.7793 1
Echinococcus multilocularis RUN 0.0068 0.0286 0.0122
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.0946 0.1096
Schistosoma mansoni hypothetical protein 0.0068 0.0286 0.0122
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.0946 0.1052
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.0946 0.099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.1141 0.1321
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0407 0.7793 1
Trichomonas vaginalis set domain proteins, putative 0.0506 1 0.5
Brugia malayi hypothetical protein 0.0068 0.0286 0.0332

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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