Detailed information for compound 26786

Basic information

Technical information
  • TDR Targets ID: 26786
  • Name: 2-(2-hydroxypropan-2-yl)-5-methyl-2,3-dihydro furo[3,2-c]quinolin-4-one
  • MW: 259.3 | Formula: C15H17NO3
  • H donors: 1 H acceptors: 2 LogP: 1.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)c2CC(Oc2c2c1cccc2)C(O)(C)C
  • InChi: 1S/C15H17NO3/c1-15(2,18)12-8-10-13(19-12)9-6-4-5-7-11(9)16(3)14(10)17/h4-7,12,18H,8H2,1-3H3
  • InChiKey: CHFLECGFLPRCNV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(1-hydroxy-1-methyl-ethyl)-5-methyl-2,3-dihydrofuro[3,2-c]quinolin-4-one
  • 2-(1-hydroxy-1-methylethyl)-5-methyl-2,3-dihydrofuro[3,2-c]quinolin-4-one

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
Loa Loa (eye worm) hypothetical protein 0.0381 0.0843 0.0849
Brugia malayi Trypsin family protein 0.0381 0.0843 0.0849
Onchocerca volvulus 0.0381 0.0843 0.0849
Onchocerca volvulus 0.0381 0.0843 0.0849
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0381 0.0843 0.0849
Brugia malayi hypothetical protein 0.0381 0.0843 0.0849
Brugia malayi Trypsin family protein 0.0381 0.0843 0.0849
Leishmania major hypothetical protein, conserved 0.0908 0.2496 0.5
Loa Loa (eye worm) hypothetical protein 0.0381 0.0843 0.0849
Loa Loa (eye worm) hypothetical protein 0.0381 0.0843 0.0849
Loa Loa (eye worm) TK/ROR protein kinase 0.0908 0.2496 0.2516
Toxoplasma gondii PAN domain-containing protein 0.1171 0.3324 1
Brugia malayi Trypsin family protein 0.3274 0.9922 1
Toxoplasma gondii PAN domain-containing protein 0.1171 0.3324 1
Loa Loa (eye worm) hypothetical protein 0.0381 0.0843 0.0849
Echinococcus granulosus tissue type plasminogen activator 0.0908 0.2496 1
Brugia malayi Kringle domain containing protein 0.0908 0.2496 0.2516
Brugia malayi Protein kinase domain containing protein 0.0908 0.2496 0.2516
Onchocerca volvulus 0.0381 0.0843 0.0849
Onchocerca volvulus 0.2894 0.8728 0.8796
Echinococcus multilocularis tissue type plasminogen activator 0.0908 0.2496 1
Trypanosoma cruzi hypothetical protein, conserved 0.0908 0.2496 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.3274 0.9922 0.9915
Mycobacterium ulcerans hypothetical protein 0.0381 0.0843 0.5
Loa Loa (eye worm) hypothetical protein 0.0381 0.0843 0.0849
Onchocerca volvulus 0.3274 0.9922 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0908 0.2496 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0908 0.2496 0.5
Schistosoma mansoni hypothetical protein 0.0908 0.2496 0.1806
Loa Loa (eye worm) hypothetical protein 0.3274 0.9922 1
Loa Loa (eye worm) trypsin family protein 0.0381 0.0843 0.0849
Onchocerca volvulus 0.0381 0.0843 0.0849
Loa Loa (eye worm) hypothetical protein 0.0908 0.2496 0.2516
Onchocerca volvulus 0.0381 0.0843 0.0849
Loa Loa (eye worm) hypothetical protein 0.3274 0.9922 1
Onchocerca volvulus 0.0908 0.2496 0.2516
Brugia malayi Trypsin-like protease protein 5 0.0381 0.0843 0.0849
Brugia malayi Trypsin family protein 0.0381 0.0843 0.0849
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0393 0.0882 0.0043

Activities

Activity type Activity value Assay description Source Reference
BK (functional) = 3 % Blockade of peak steady-state K+ currents of Kv1.3 channels in mouse fibroblasts L929 at 25 uM ChEMBL. 11312924
BK (functional) = 3 % Blockade of peak steady-state K+ currents of Kv1.3 channels in mouse fibroblasts L929 at 25 uM ChEMBL. 11312924
BK (functional) = 4 % Blockade of peak steady-state K+ currents of neuroblastoma cells N1E-115 at 50 microM concentration ChEMBL. 11312924
BK (functional) = 4 % Blockade of peak steady-state K+ currents of neuroblastoma cells N1E-115 at 50 microM concentration ChEMBL. 11312924
BNa (functional) = 0 % Blockade of peak steady-state Na+ currents of neuroblastoma cells N1E-115 at 25 uM ChEMBL. 11312924
BNa (functional) = 0 % Blockade of peak steady-state Na+ currents of neuroblastoma cells N1E-115 at 25 uM ChEMBL. 11312924

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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