Detailed information for compound 1419692

Basic information

Technical information
  • TDR Targets ID: 1419692
  • Name: 2-oxo-8-prop-2-enylchromene-3-carboxylic acid
  • MW: 230.216 | Formula: C13H10O4
  • H donors: 1 H acceptors: 3 LogP: 3.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCc1cccc2c1oc(=O)c(c2)C(=O)O
  • InChi: 1S/C13H10O4/c1-2-4-8-5-3-6-9-7-10(12(14)15)13(16)17-11(8)9/h2-3,5-7H,1,4H2,(H,14,15)
  • InChiKey: INVQLJVWNLVXMU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-allyl-2-oxo-chromene-3-carboxylic acid
  • 8-allyl-2-oxo-3-chromenecarboxylic acid
  • 8-allyl-2-keto-chromene-3-carboxylic acid
  • 2-oxo-8-prop-2-enyl-chromene-3-carboxylic acid
  • SMR000123348
  • ChemDiv3_003147
  • IVK/9313279
  • Oprea1_305284
  • MLS000523370
  • Oprea1_372479
  • 8-Allyl-2-oxo-2H-chromene-3-carboxylic acid
  • BAS 00687088

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.086 0.1292
Entamoeba histolytica hypothetical protein 0.0075 0.1949 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.1949 0.2929
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.1949 0.2929
Schistosoma mansoni hypothetical protein 0.0035 0.0524 0.0788
Loa Loa (eye worm) hypothetical protein 0.0044 0.0834 0.0799
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0107 0.0161
Brugia malayi Bromodomain containing protein 0.0077 0.2005 0.1847
Loa Loa (eye worm) hypothetical protein 0.0042 0.0765 0.073
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.086 0.1292
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1989 0.2989
Echinococcus granulosus hormone sensitive lipase 0.0209 0.6654 1
Schistosoma mansoni hypothetical protein 0.0021 0.0038 0.0057
Brugia malayi RNA binding protein 0.0076 0.1989 0.1831
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1989 0.1831
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1095 0.1061
Loa Loa (eye worm) hypothetical protein 0.0073 0.185 0.1819
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1095 0.092
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.086 0.1292
Echinococcus granulosus tar DNA binding protein 0.0076 0.1989 0.2989
Echinococcus granulosus geminin 0.0182 0.5719 0.8594
Entamoeba histolytica hypothetical protein 0.0075 0.1949 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.086 0.1292
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0209 0.6654 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.1095 0.1061
Brugia malayi follicle stimulating hormone receptor 0.0225 0.723 0.7176
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1989 0.2989
Loa Loa (eye worm) hypothetical protein 0.0039 0.068 0.0644
Loa Loa (eye worm) hypothetical protein 0.0304 1 1
Entamoeba histolytica hypothetical protein 0.0075 0.1949 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0209 0.6654 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.086 0.1292
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1989 0.2989
Loa Loa (eye worm) hypothetical protein 0.0035 0.0524 0.0488
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.1451 0.2181
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.086 0.1292
Echinococcus multilocularis geminin 0.0182 0.5719 0.8594
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0592 0.0889
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.086 0.0825
Entamoeba histolytica hypothetical protein 0.0075 0.1949 0.5
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0107 0.0161
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1989 0.2989
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1989 0.2989
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0592 0.0889
Brugia malayi TAR-binding protein 0.0076 0.1989 0.1831
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1989 0.1958
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.1451 0.2181
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.086 0.068
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0209 0.6654 1
Echinococcus multilocularis hormone sensitive lipase 0.0209 0.6654 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1989 0.2989
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.086 0.1292
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0225 0.723 0.722
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.1949 0.2929
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1989 0.1958
Schistosoma mansoni hypothetical protein 0.0182 0.5719 0.8594
Brugia malayi hypothetical protein 0.0075 0.1949 0.1791
Brugia malayi Bromodomain containing protein 0.0039 0.0677 0.0494
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0107 0.0161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1095 0.092
Onchocerca volvulus 0.0304 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0065 0.1581 0.2375
Schistosoma mansoni hypothetical protein 0.0075 0.1949 0.2929
Schistosoma mansoni hypothetical protein 0.0182 0.5719 0.8594
Loa Loa (eye worm) hypothetical protein 0.0209 0.6654 0.6641
Loa Loa (eye worm) RNA binding protein 0.0076 0.1989 0.1958
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0524 0.0338

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) 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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