Detailed information for compound 1657245

Basic information

Technical information
  • TDR Targets ID: 1657245
  • Name: 5-hexyl-1H-pyrano[5,6-e]pyrimidine-2,4,7-trio ne
  • MW: 264.277 | Formula: C13H16N2O4
  • H donors: 2 H acceptors: 3 LogP: 1.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCc1cc(=O)oc2c1c(=O)[nH]c(=O)[nH]2
  • InChi: 1S/C13H16N2O4/c1-2-3-4-5-6-8-7-9(16)19-12-10(8)11(17)14-13(18)15-12/h7H,2-6H2,1H3,(H2,14,15,17,18)
  • InChiKey: SPADLMGJKKWXEP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxycarboxylic acid receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis G-protein coupled receptor, putative hydroxycarboxylic acid receptor 2 363 aa 294 aa 20.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Rhodanese-like domain containing protein 0.0057 0.0841 0.1397
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0057 0.0841 0.0841
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0352 0.6021 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0188 0.3141 0.3141
Brugia malayi Rhodanese-like domain containing protein 0.0057 0.0841 0.1397
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0057 0.0841 0.0841
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0058 0.086 0.086
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0188 0.3141 0.3141
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0057 0.0841 0.0841
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0057 0.0841 0.1397
Trichomonas vaginalis pps1 dual specificty phosphatase, putative 0.0579 1 1
Onchocerca volvulus 0.0057 0.0841 0.2679
Entamoeba histolytica rodhanase-like domain containing protein 0.0057 0.0841 0.0841
Trichomonas vaginalis cdc25c, putative 0.0057 0.0841 0.0841
Onchocerca volvulus 0.0057 0.0841 0.2679
Leishmania major hypothetical protein, conserved 0.0058 0.086 1
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.086 1
Trypanosoma cruzi hypothetical protein, conserved 0.0058 0.086 1
Trichomonas vaginalis cdc25b, putative 0.0057 0.0841 0.0841
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0057 0.0841 0.1397
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0352 0.6021 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0352 0.6021 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0352 0.6021 1
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0352 0.6021 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0188 0.3141 0.3141
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0188 0.3141 0.3141
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0188 0.3141 0.3141
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0188 0.3141 0.3141
Loa Loa (eye worm) hypothetical protein 0.0052 0.0763 0.1268
Entamoeba histolytica rodhanase-like domain containing protein 0.0057 0.0841 0.0841
Loa Loa (eye worm) hypothetical protein 0.0057 0.0841 0.1397
Onchocerca volvulus 0.0188 0.3141 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0188 0.3141 0.3141
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0058 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0841 0.1397
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0188 0.3141 0.3141
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0058 0.086 0.086
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0188 0.3141 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0188 0.3141 0.5
Trichomonas vaginalis cdc25b, putative 0.0057 0.0841 0.0841
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0057 0.0841 0.0841
Onchocerca volvulus 0.0057 0.0841 0.2679
Entamoeba histolytica rodhanase-like domain containing protein 0.0057 0.0841 0.0841
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.013 0.2124 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.0763 0.1268
Onchocerca volvulus 0.0057 0.0841 0.2679
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0057 0.0841 0.0841
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0188 0.3141 0.5216
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0057 0.0841 0.1397
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0188 0.3141 0.5216

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 28 nM Agonist activity at human recombinant GPR109a expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation ChEMBL. 24900372

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.