Detailed information for compound 312189

Basic information

Technical information
  • TDR Targets ID: 312189
  • Name: 2-(oxolan-2-ylmethylamino)benzo[h]chromen-4-o ne
  • MW: 295.332 | Formula: C18H17NO3
  • H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(NCC2CCCO2)oc2c1ccc1c2cccc1
  • InChi: 1S/C18H17NO3/c20-16-10-17(19-11-13-5-3-9-21-13)22-18-14-6-2-1-4-12(14)7-8-15(16)18/h1-2,4,6-8,10,13,19H,3,5,9,11H2
  • InChiKey: USVRQGNGVBJZLK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(tetrahydrofuran-2-ylmethylamino)benzo[h]chromen-4-one
  • 2-(2-tetrahydrofuranylmethylamino)-4-benzo[h][1]benzopyranone
  • 2-(tetrahydrofurfurylamino)benzo[h]chromen-4-one
  • 2-(2-tetrahydrofuranylmethylamino)-4-benzo[h]chromenone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens protein kinase, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
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
Leishmania major hypothetical protein, conserved 0.0114 0.2758 1
Brugia malayi Trypsin family protein 0.0103 0.2373 1
Echinococcus multilocularis tissue type plasminogen activator 0.004 0.008 0.008
Plasmodium vivax cysteine repeat modular protein 1, putative 0.004 0.008 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 1 1
Schistosoma mansoni hypothetical protein 0.004 0.008 0.0117
Onchocerca volvulus 0.0089 0.1855 0.7818
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0226 0.6837 0.6837
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0103 0.2373 0.3471
Onchocerca volvulus 0.004 0.008 0.0337
Brugia malayi Protein kinase domain containing protein 0.004 0.008 0.0337
Loa Loa (eye worm) hypothetical protein 0.0103 0.2373 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0226 0.6837 0.6837
Echinococcus granulosus tissue type plasminogen activator 0.004 0.008 0.008
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.2605 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2373 1
Schistosoma mansoni lipoxygenase 0.0158 0.4367 0.6387
Onchocerca volvulus 0.0103 0.2373 1
Schistosoma mansoni lipoxygenase 0.0226 0.6837 1
Brugia malayi Kringle domain containing protein 0.004 0.008 0.0337
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0103 0.2373 0.3471
Toxoplasma gondii kringle domain-containing protein 0.004 0.008 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.008 0.0337
Plasmodium falciparum cysteine repeat modular protein 1 0.004 0.008 1
Loa Loa (eye worm) TK/ROR protein kinase 0.004 0.008 0.0337

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10 uM Inhibition of DNA dependent protein kinase isolated from HeLa cells ChEMBL. 15658870
IC50 (binding) > 10 uM Inhibition of DNA dependent protein kinase isolated from HeLa cells ChEMBL. 15658870

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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