Detailed information for compound 1443237

Basic information

Technical information
  • TDR Targets ID: 1443237
  • Name: 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-ox oethyl]-2-(4-methylphenyl)-[1,2,4]triazolo[1, 5-c]quinazolin-5-one
  • MW: 508.571 | Formula: C29H28N6O3
  • H donors: 0 H acceptors: 4 LogP: 4.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccccc1N1CCN(CC1)C(=O)Cn1c2ccccc2c2n(c1=O)nc(n2)c1ccc(cc1)C
  • InChi: 1S/C29H28N6O3/c1-20-11-13-21(14-12-20)27-30-28-22-7-3-4-8-23(22)34(29(37)35(28)31-27)19-26(36)33-17-15-32(16-18-33)24-9-5-6-10-25(24)38-2/h3-14H,15-19H2,1-2H3
  • InChiKey: CTQYHERSWRRZBC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • 6-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • 6-[2-keto-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-one
  • G860-0072
  • NCGC00137412-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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 japonicum expressed protein 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 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
Echinococcus multilocularis lamin 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 lamin 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
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 cytoplasmic intermediate filament protein 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723

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 0.0254 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.0447 0.0447
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0028 0.0447 0.5
Schistosoma mansoni laminin gamma-3 chain 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Onchocerca volvulus 0.0043 0.1071 0.0653
Echinococcus multilocularis lamin dm0 0.0033 0.0639 0.0202
Entamoeba histolytica aldose reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0033 0.0639 0.0639
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Schistosoma mansoni peroxidasin 0.0254 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Schistosoma mansoni lamin 0.0033 0.0639 0.0202
Echinococcus multilocularis fat cadherin tumor suppressor 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) oxidoreductase 0.0028 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Echinococcus multilocularis musashi 0.0033 0.0639 0.0202
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) notch protein 0.0043 0.1071 0.1071
Echinococcus multilocularis peroxidasin 0.0254 1 1
Brugia malayi Animal haem peroxidase family protein 0.0254 1 1
Brugia malayi Animal haem peroxidase family protein 0.0254 1 1
Echinococcus multilocularis neurogenic locus protein delta 0.0043 0.1071 0.0653
Onchocerca volvulus 0.0043 0.1071 0.0653
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0254 1 1
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Schistosoma mansoni cell polarity protein 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0028 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Echinococcus granulosus protein jagged 1 0.0043 0.1071 0.0653
Trypanosoma brucei aldo-keto reductase, putative 0.0028 0.0447 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0028 0.0447 0.5
Echinococcus granulosus neurogenic locus protein delta 0.0043 0.1071 0.0653
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0028 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Schistosoma mansoni notch 0.0043 0.1071 0.0653
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0447 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.0447 0.0447
Onchocerca volvulus 0.0254 1 1
Onchocerca volvulus 0.0254 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0028 0.0447 0.5
Echinococcus granulosus lamin dm0 0.0033 0.0639 0.0202
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Schistosoma mansoni slit 0.0043 0.1071 0.0653
Brugia malayi Animal haem peroxidase family protein 0.0254 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0614 0.0614
Mycobacterium tuberculosis Conserved protein 0.0028 0.0447 0.5
Echinococcus granulosus neurogenic locus notch protein 0.0043 0.1071 0.0653
Onchocerca volvulus Peroxidasin homolog 0.0254 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Loa Loa (eye worm) oxidoreductase 0.0028 0.0447 0.0447
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Echinococcus granulosus protein jagged 2 0.0043 0.1071 0.0653
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Onchocerca volvulus 0.0043 0.1071 0.0653
Schistosoma mansoni notch 0.0043 0.1071 0.0653
Loa Loa (eye worm) Notch2 0.0043 0.1071 0.1071
Onchocerca volvulus 0.0043 0.1071 0.0653
Echinococcus multilocularis lamin 0.0033 0.0639 0.0202
Echinococcus multilocularis slit 2 protein 0.0043 0.1071 0.0653
Echinococcus granulosus slit 2 protein 0.0043 0.1071 0.0653
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Echinococcus multilocularis fibropellin Ia 0.0043 0.1071 0.0653
Brugia malayi NADH-dependent xylose reductase 0.0028 0.0447 0.0447
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0639 0.0639
Giardia lamblia High cysteine protein 0.0043 0.1071 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Schistosoma mansoni septate junction protein 0.0043 0.1071 0.0653
Brugia malayi Blistered cuticle protein 3 0.0254 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0043 0.1071 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0028 0.0447 0.5
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0043 0.1071 0.0653
Echinococcus multilocularis protein jagged 2 0.0043 0.1071 0.0653
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0028 0.0447 0.0447
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Schistosoma mansoni notch 0.0043 0.1071 0.0653
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Schistosoma mansoni lamin 0.0033 0.0639 0.0202
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0639 0.0639
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Echinococcus granulosus protein jagged 2 0.0043 0.1071 0.0653
Trypanosoma brucei aldo/keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0639 0.0639
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0254 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Schistosoma mansoni notch 0.0043 0.1071 0.0653
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Trypanosoma cruzi aldo/keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0254 1 1
Brugia malayi intermediate filament protein 0.0033 0.0639 0.0639
Entamoeba histolytica aldose reductase, putative 0.0028 0.0447 0.5
Echinococcus multilocularis protein jagged 1 0.0043 0.1071 0.0653
Echinococcus multilocularis neurogenic locus protein delta 0.0043 0.1071 0.0653
Brugia malayi Peroxidasin 0.0254 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Echinococcus granulosus intermediate filament protein 0.0033 0.0639 0.0202
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Brugia malayi Animal haem peroxidase family protein 0.0254 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0028 0.0447 0.5
Onchocerca volvulus Peroxidase homolog 0.0254 1 1
Plasmodium falciparum aldehyde reductase, putative 0.0028 0.0447 0.5
Echinococcus granulosus neurogenic locus notch protein 0.0043 0.1071 0.0653
Trypanosoma brucei prostaglandin f synthase 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Onchocerca volvulus Peroxidasin homolog 0.0254 1 1
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Echinococcus granulosus protein jagged 1 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Onchocerca volvulus Slit protein homolog 0.0043 0.1071 0.0653
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0028 0.0447 0.5
Mycobacterium ulcerans oxidoreductase 0.0028 0.0447 0.5
Leishmania major prostaglandin f synthase, putative 0.0028 0.0447 0.5
Onchocerca volvulus 0.0043 0.1071 0.0653
Schistosoma mansoni peroxidasin 0.0254 1 1
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Leishmania major aldo-keto reductase-like protein 0.0028 0.0447 0.5
Entamoeba histolytica alcohol dehydrogenase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Trypanosoma cruzi aldo-keto reductase 0.0028 0.0447 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0028 0.0447 0.5
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0028 0.0447 0.5
Echinococcus multilocularis neurogenic locus notch protein 0.0043 0.1071 0.0653
Brugia malayi Cadherin domain containing protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Echinococcus multilocularis neurogenic locus notch protein 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Echinococcus granulosus fibropellin Ia 0.0043 0.1071 0.0653
Onchocerca volvulus 0.0033 0.0639 0.0202
Brugia malayi GCC2 and GCC3 family protein 0.0043 0.1071 0.1071
Schistosoma mansoni notch 0.0043 0.1071 0.0653
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Onchocerca volvulus Dual oxidase homolog 0.0254 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0254 1 1
Echinococcus granulosus delta-like protein 1 0.0043 0.1071 0.0653
Echinococcus granulosus neural cadherin 0.0043 0.1071 0.0653
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0028 0.0447 0.0447
Plasmodium vivax aldehyde reductase, putative 0.0028 0.0447 0.5
Onchocerca volvulus Peroxidase homolog 0.0254 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0254 1 1
Brugia malayi Calcium binding EGF domain containing protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) oxidoreductase 0.0028 0.0447 0.0447
Echinococcus multilocularis protein jagged 1 0.0043 0.1071 0.0653
Onchocerca volvulus 0.0033 0.0639 0.0202
Brugia malayi Delta serrate ligand family protein 0.0043 0.1071 0.1071
Brugia malayi Muscle positioning protein 4 0.0043 0.1071 0.1071
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Onchocerca volvulus Neurogenic locus notch homolog 0.0043 0.1071 0.0653
Echinococcus multilocularis neurogenic locus notch protein 4 0.0043 0.1071 0.0653
Echinococcus multilocularis notch 0.0043 0.1071 0.0653
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0043 0.1071 0.1071
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0028 0.0447 0.5
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Echinococcus granulosus lamin 0.0033 0.0639 0.0202
Brugia malayi Calcium binding EGF domain containing protein 0.0043 0.1071 0.1071
Onchocerca volvulus Chorion peroxidase homolog 0.0254 1 1
Entamoeba histolytica aldose reductase, putative 0.0028 0.0447 0.5
Echinococcus multilocularis neural cadherin 0.0043 0.1071 0.0653
Onchocerca volvulus Putative cubilin 0.0043 0.1071 0.0653
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Echinococcus granulosus peroxidasin 0.0254 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Echinococcus granulosus notch 0.0043 0.1071 0.0653
Brugia malayi Cadherin domain containing protein 0.0043 0.1071 0.1071
Mycobacterium leprae Possible oxidoreductase 0.0028 0.0447 0.5
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Onchocerca volvulus 0.0254 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1071 0.1071
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Entamoeba histolytica alcohol dehydrogenase, putative 0.0028 0.0447 0.5
Schistosoma mansoni notch 0.0043 0.1071 0.0653
Schistosoma mansoni hypothetical protein 0.0043 0.1071 0.0653
Schistosoma mansoni intermediate filament proteins 0.0033 0.0639 0.0202
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) oxidoreductase 0.0028 0.0447 0.0447
Brugia malayi notch-like transmembrane receptor 0.0043 0.1071 0.1071
Brugia malayi EGF-like domain containing protein 0.0043 0.1071 0.1071
Mycobacterium ulcerans hypothetical protein 0.0028 0.0447 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0043 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0028 0.0447 0.5
Brugia malayi Animal haem peroxidase family protein 0.0254 1 1
Loa Loa (eye worm) hypothetical protein 0.0254 1 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0028 0.0447 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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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