Detailed information for compound 1254773

Basic information

Technical information
  • TDR Targets ID: 1254773
  • Name: 6-ethyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl] methyl]chromen-2-one
  • MW: 316.395 | Formula: C18H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 1.22 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1CCN(CC1)Cc1cc(=O)oc2c1cc(CC)cc2
  • InChi: 1S/C18H24N2O3/c1-2-14-3-4-17-16(11-14)15(12-18(22)23-17)13-20-7-5-19(6-8-20)9-10-21/h3-4,11-12,21H,2,5-10,13H2,1H3
  • InChiKey: PSEBLDPPAVHMEZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-ethyl-4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-2-chromenone
  • 6-ethyl-4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]coumarin
  • MLS000083759
  • SMR000047212

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi oligopeptidase b 0.0133 0.0469 0.1499
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0021 0.0021
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.0469 0.1499
Mycobacterium tuberculosis Probable peptidase 0.0133 0.0469 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0563 0.3129 1
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1674 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0133 0.0469 0.1499
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0133 0.0469 1
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0133 0.0469 0.5
Echinococcus granulosus Dipeptidyl peptidase 9 0.0563 0.3129 0.2791
Entamoeba histolytica prolyl oligopeptidase family protein 0.0133 0.0469 0.5
Brugia malayi hypothetical protein 0.043 0.2308 0.2308
Loa Loa (eye worm) prolyl oligopeptidase 0.0133 0.0469 0.0469
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0133 0.0469 0.1499
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0563 0.3129 1
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0133 0.0469 0.1499
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1674 1 1
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0563 0.3129 0.2791
Loa Loa (eye worm) hypothetical protein 0.043 0.2308 0.2308
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0133 0.0469 0.5
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0133 0.0469 0.1499
Brugia malayi prolyl oligopeptidase family protein 0.0133 0.0469 0.0469
Entamoeba histolytica prolyl oligopeptidase family protein 0.0133 0.0469 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0133 0.0469 0.5
Trypanosoma cruzi oligopeptidase b 0.0133 0.0469 0.1499
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0133 0.0469 0.1499
Echinococcus granulosus neuropeptide s receptor 0.0558 0.3101 0.2762
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1674 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0563 0.3129 1
Brugia malayi prolyl oligopeptidase family protein 0.0133 0.0469 0.0469
Brugia malayi Cytochrome P450 family protein 0.012 0.0391 0.0391
Plasmodium vivax hypothetical protein, conserved 0.0133 0.0469 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0021 0.0021
Giardia lamblia Alanyl dipeptidyl peptidase 0.0133 0.0469 0.5
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0133 0.0469 0.1499
Trypanosoma brucei prolyl oligopeptidase, putative 0.0133 0.0469 0.1499
Loa Loa (eye worm) hypothetical protein 0.0133 0.0469 0.0469
Loa Loa (eye worm) cytochrome P450 family protein 0.012 0.0391 0.0391
Brugia malayi prolyl oligopeptidase family protein 0.0563 0.3129 0.3129
Entamoeba histolytica hypothetical protein, conserved 0.0133 0.0469 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0563 0.3129 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0133 0.0469 0.5
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0133 0.0469 0.5
Leishmania major oligopeptidase b 0.0133 0.0469 0.1499
Loa Loa (eye worm) prolyl oligopeptidase 0.1674 1 1
Giardia lamblia Alanyl dipeptidyl peptidase 0.0133 0.0469 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0133 0.0469 0.1499
Loa Loa (eye worm) hypothetical protein 0.006 0.0021 0.0021
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0563 0.3129 1
Loa Loa (eye worm) hypothetical protein 0.0133 0.0469 0.0469
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0133 0.0469 0.5
Brugia malayi prolyl oligopeptidase family protein 0.0133 0.0469 0.0469
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1674 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0563 0.3129 0.2791
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0563 0.3129 1
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.3101 0.2762
Trypanosoma brucei oligopeptidase b 0.0133 0.0469 0.1499
Plasmodium falciparum peptidase, putative 0.0133 0.0469 0.5
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0133 0.0469 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.3101 0.2762
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0021 0.0021
Entamoeba histolytica prolyl oligopeptidase family protein 0.0133 0.0469 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.3101 0.2762
Trypanosoma cruzi prolyl endopeptidase 0.0133 0.0469 0.1499
Trypanosoma brucei prolyl endopeptidase 0.0133 0.0469 0.1499
Loa Loa (eye worm) hypothetical protein 0.0133 0.0469 0.0469

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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