Detailed information for compound 1377558

Basic information

Technical information
  • TDR Targets ID: 1377558
  • Name: 5-ethyl-3,4-dimethyl-1-phenylpyrano[5,6-d]pyr azol-6-one
  • MW: 268.31 | Formula: C16H16N2O2
  • H donors: 0 H acceptors: 2 LogP: 3.33 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1c(=O)oc2c(c1C)c(C)nn2c1ccccc1
  • InChi: 1S/C16H16N2O2/c1-4-13-10(2)14-11(3)17-18(15(14)20-16(13)19)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
  • InChiKey: DHNVBODAHSONDJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-ethyl-3,4-dimethyl-1-phenyl-pyrano[5,6-d]pyrazol-6-one
  • 5-ethyl-3,4-dimethyl-1-phenyl-6-pyrano[5,6-d]pyrazolone
  • MLS000120861
  • SMR000118220
  • A3019/0127295
  • Oprea1_824445
  • 5-Ethyl-3,4-dimethyl-1-phenyl-1H-pyrano[2,3-c]pyrazol-6-one
  • BAS 03551868
  • ZINC00080823

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Saccharomyces cerevisiae protein transporter TIM10 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis mitochondrial transport complex Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Toxoplasma gondii TIM10 family protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Neospora caninum mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Theileria parva mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus multilocularis expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus granulosus expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Neospora caninum Tim10/DDP family zinc finger containing protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Loa Loa (eye worm) transport to inner mitochondrial membrane family member Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium yoelii small zinc finger-like protein-related Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
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 brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0058 0.9382 0.9382
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1035 0.5
Trypanosoma brucei unspecified product 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.1035 0.5
Echinococcus multilocularis dna polymerase eta 0.0023 0.1035 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Echinococcus granulosus dna polymerase kappa 0.0023 0.1035 0.1103
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1035 0.1035
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0058 0.9382 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.1035 0.1103
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.1035 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.1035 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1035 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.1035 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.1035 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.5371 0.5725
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.1035 0.1035
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1035 0.5
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0058 0.9382 0.9382
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1035 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Echinococcus granulosus expressed protein 0.0058 0.9382 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.1035 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.1035 0.1035
Schistosoma mansoni DNA polymerase eta 0.0023 0.1035 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.1035 0.1103
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.1035 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.1035 0.1103
Giardia lamblia DINP protein human, muc B family 0.0023 0.1035 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.1035 0.1035
Leishmania major DNA polymerase kappa, putative 0.0023 0.1035 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5371 0.5371
Loa Loa (eye worm) hypothetical protein 0.0041 0.5371 0.5371
Toxoplasma gondii TIM10 family protein, putative 0.0058 0.9382 0.5
Echinococcus multilocularis expressed protein 0.0058 0.9382 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.1035 0.1103
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.1035 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.1035 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.1035 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0058 0.9382 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Echinococcus granulosus dna polymerase eta 0.0023 0.1035 0.1103
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0058 0.9382 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.1035 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0058 0.9382 0.5
Echinococcus multilocularis dna polymerase kappa 0.0023 0.1035 0.1103

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 17.2 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim10-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463190, AID463194, AID504542, AID504544] ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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