Detailed information for compound 1366783

Basic information

Technical information
  • TDR Targets ID: 1366783
  • Name: 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[2-(4 -ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-[1,2 ,4]triazolo[1,5-c]quinazolin-5-one
  • MW: 530.575 | Formula: C28H30N6O5
  • H donors: 0 H acceptors: 5 LogP: 3.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOc1ccc(cc1)C(=O)Cn1c2cc(OC)c(cc2c2n(c1=O)nc(n2)CCn1nc(cc1C)C)OC
  • InChi: 1S/C28H30N6O5/c1-6-39-20-9-7-19(8-10-20)23(35)16-32-22-15-25(38-5)24(37-4)14-21(22)27-29-26(31-34(27)28(32)36)11-12-33-18(3)13-17(2)30-33/h7-10,13-15H,6,11-12,16H2,1-5H3
  • InChiKey: MWQHFSBTNIQONZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxo-ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • 2-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-6-[2-(4-ethoxyphenyl)-2-oxoethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • 2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-[2-(4-ethoxyphenyl)-2-keto-ethyl]-8,9-dimethoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • G861-0161
  • NCGC00137527-01

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 thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
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
Schistosoma mansoni hypothetical protein 0.0019 0.0147 0.0076
Echinococcus granulosus geminin 0.019 0.7709 1
Entamoeba histolytica protein kinase, putative 0.0242 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0163 0.6513 0.8448
Schistosoma mansoni serine/threonine-protein kinase 0.0163 0.6513 0.8429
Loa Loa (eye worm) AGC/AKT protein kinase 0.0242 1 1
Echinococcus granulosus GPCR family 2 0.0019 0.0147 0.0191
Echinococcus multilocularis serine:threonine protein kinase 38 0.0081 0.287 0.3723
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0147 0.0191
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.602 0.7809
Echinococcus multilocularis nervana 2 0.0155 0.6142 0.7967
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Trichomonas vaginalis AGC family protein kinase 0.0087 0.3163 0.0514
Echinococcus multilocularis geminin 0.019 0.7709 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.602 0.7809
Loa Loa (eye worm) hypothetical protein 0.0019 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0032 0.0718 0.0718
Echinococcus multilocularis lamin dm0 0.0033 0.0744 0.0965
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Schistosoma mansoni thyroid hormone receptor 0.0164 0.6559 0.849
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0089 0.5
Brugia malayi isocitrate dehydrogenase 0.0018 0.0089 0.0013
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1965 0.1903
Echinococcus multilocularis rac serine:threonine kinase 0.0163 0.6513 0.8448
Schistosoma mansoni serine/threonine kinase 0.0081 0.287 0.3649
Echinococcus granulosus Protein kinase C brain isozyme 0.0081 0.287 0.3723
Loa Loa (eye worm) hypothetical protein 0.0033 0.0744 0.0744
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0081 0.287 0.287
Echinococcus granulosus NDR protein kinase 0.0081 0.287 0.3723
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Toxoplasma gondii AGC kinase 0.0236 0.9707 1
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0081 0.287 0.287
Schistosoma mansoni hypothetical protein 0.0041 0.1123 0.1357
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0147 0.0191
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.6559 0.8508
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0089 0.0116
Echinococcus granulosus serine threonine protein kinase nrc 0.0157 0.6219 0.8067
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0089 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0081 0.287 0.3723
Echinococcus granulosus protein kinase C gamma type 0.0081 0.287 0.3723
Echinococcus multilocularis protein kinase c iota type 0.0081 0.287 0.3723
Schistosoma mansoni lamin 0.0033 0.0744 0.0859
Brugia malayi p70 ribosomal S6 kinase beta 0.0236 0.9707 0.9704
Loa Loa (eye worm) AGC/PKN protein kinase 0.0081 0.287 0.287
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1123 0.1055
Trichomonas vaginalis AGC family protein kinase 0.0081 0.287 0.0107
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0089 0.0013
Giardia lamblia Kinase, AGC PKA 0.0157 0.6219 0.5
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0157 0.6219 0.8067
Loa Loa (eye worm) AGC/NDR protein kinase 0.0081 0.287 0.287
Entamoeba histolytica protein kinase, putative 0.0242 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0744 0.0965
Echinococcus granulosus protein kinase c iota type 0.0081 0.287 0.3723
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0147 0.0147
Echinococcus multilocularis Glutaredoxin protein 5 0.0155 0.6142 0.7967
Echinococcus granulosus Glutaredoxin protein 5 0.0155 0.6142 0.7967
Schistosoma mansoni hypothetical protein 0.019 0.7709 1
Onchocerca volvulus 0.0033 0.0744 0.5
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0081 0.287 0.287
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0163 0.6513 1
Echinococcus multilocularis serine threonine protein kinase 0.0081 0.287 0.3723
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0157 0.6219 1
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.0744 0.0859
Brugia malayi protein kinase C II. 0.0081 0.287 0.2815
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0147 0.0191
Schistosoma mansoni serine/threonine-protein kinase 0.0163 0.6513 0.8429
Schistosoma mansoni hypothetical protein 0.019 0.7709 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0242 1 1
Echinococcus multilocularis lamin 0.0033 0.0744 0.0965
Echinococcus multilocularis protein kinase c epsilon type 0.0081 0.287 0.3723
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0081 0.287 0.3723
Echinococcus granulosus nervana 2 0.0155 0.6142 0.7967
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0089 0.0116
Trichomonas vaginalis AGC family protein kinase 0.0081 0.287 0.0107
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1965 0.1903
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0081 0.287 0.3723
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0147 0.0191
Echinococcus multilocularis nervana 2 0.0155 0.6142 0.7967
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0081 0.287 0.3723
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0076 0.0076
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0157 0.6219 0.9543
Echinococcus multilocularis musashi 0.0033 0.0744 0.0965
Schistosoma mansoni thyroid hormone receptor 0.0164 0.6559 0.849
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0089 0.0116
Brugia malayi intermediate filament protein 0.0033 0.0744 0.0673
Brugia malayi Protein kinase domain containing protein 0.0081 0.287 0.2815
Echinococcus granulosus nervana 2 0.0155 0.6142 0.7967
Echinococcus multilocularis serine:threonine protein kinase N2 0.0081 0.287 0.3723
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0147 0.0191
Loa Loa (eye worm) hypothetical protein 0.006 0.1965 0.1965
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0089 0.0089
Trichomonas vaginalis AGC family protein kinase 0.0081 0.287 0.0107
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0147 0.0071
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0081 0.287 0.3723
Loa Loa (eye worm) hypothetical protein 0.0041 0.1123 0.1123
Loa Loa (eye worm) hypothetical protein 0.0081 0.287 0.287
Entamoeba histolytica protein kinase, putative 0.0236 0.9707 0.9589
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0081 0.287 0.287
Schistosoma mansoni atypical protein kinase C 0.0081 0.287 0.3649
Echinococcus granulosus lamin 0.0033 0.0744 0.0965
Onchocerca volvulus 0.0033 0.0744 0.5
Echinococcus multilocularis serine:threonine protein kinase N2 0.0081 0.287 0.3723
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Entamoeba histolytica PH domain containing protein kinase, putative 0.0163 0.6513 0.5109
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0089 0.0116
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0155 0.6142 0.7967
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0081 0.287 0.3723
Schistosoma mansoni hypothetical protein 0.0019 0.0147 0.0076
Echinococcus granulosus lamin dm0 0.0033 0.0744 0.0965
Entamoeba histolytica protein kinase 2, putative 0.0157 0.6219 0.4697
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0236 0.9707 0.9707
Entamoeba histolytica PH domain containing protein kinase, putative 0.0163 0.6513 0.5109
Echinococcus granulosus protein kinase c epsilon type 0.0081 0.287 0.3723
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0155 0.6142 0.7967
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0157 0.6219 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0089 0.0116
Schistosoma mansoni lamin 0.0033 0.0744 0.0859
Schistosoma mansoni hypothetical protein 0.0019 0.0147 0.0076
Brugia malayi Protein kinase domain containing protein 0.0081 0.287 0.2815
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1965 0.1965
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0744 0.0744
Schistosoma mansoni hypothetical protein 0.0019 0.0147 0.0076
Schistosoma mansoni hypothetical protein 0.0152 0.602 0.7783
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0744 0.0744
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0744 0.0673
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0089 0.0116
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.287 0.3649
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0147 0.0071
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0157 0.6219 0.8067
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0081 0.287 0.3723
Brugia malayi Hr1 repeat family protein 0.0081 0.287 0.2815
Trypanosoma cruzi Protein kinase B 0.0163 0.6513 1
Trichomonas vaginalis AGC family protein kinase 0.0242 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0081 0.287 0.3723

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.4467 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7943 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) 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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