Detailed information for compound 1210669

Basic information

Technical information
  • TDR Targets ID: 1210669
  • Name: 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2 ,4-dioxoquinazolin-1-yl]-N-(3,5-dimethoxyphen yl)acetamide
  • MW: 539.964 | Formula: C27H26ClN3O7
  • H donors: 1 H acceptors: 3 LogP: 3.72 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2c(cc1OC)c(=O)n(c(=O)n2CC(=O)Nc1cc(OC)cc(c1)OC)Cc1ccccc1Cl
  • InChi: 1S/C27H26ClN3O7/c1-35-18-9-17(10-19(11-18)36-2)29-25(32)15-30-22-13-24(38-4)23(37-3)12-20(22)26(33)31(27(30)34)14-16-7-5-6-8-21(16)28/h5-13H,14-15H2,1-4H3,(H,29,32)
  • InChiKey: SJGJYNOVPWRYQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
  • 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-1-quinazolinyl]-N-(3,5-dimethoxyphenyl)acetamide
  • 2-[3-(2-chlorobenzyl)-2,4-diketo-6,7-dimethoxy-quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
  • 2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxo-quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)ethanamide
  • C260-3017
  • NCGC00106821-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Echinococcus granulosus peptidase Clp S14 family 0.0054 0.0007 0.0001
Echinococcus multilocularis musashi 0.0115 0.0358 0.0351
Schistosoma mansoni ATP-binding cassette transporter 0.0082 0.0166 0.0358
Loa Loa (eye worm) intermediate filament protein 0.0115 0.0358 0.1327
Schistosoma mansoni glutamate receptor NMDA 0.0082 0.0166 0.0358
Brugia malayi hypothetical protein 0.0516 0.2697 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0124 0.041 0.0737
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0055 0.0012 0.0009
Loa Loa (eye worm) hypothetical protein 0.0105 0.03 0.1113
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0124 0.041 0.0403
Loa Loa (eye worm) hypothetical protein 0.0112 0.0345 0.1281
Echinococcus granulosus lamin 0.0115 0.0358 0.0641
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0188 0.0788 0.1427
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0083 0.0174 0.5
Echinococcus granulosus lamin dm0 0.0115 0.0358 0.0641
Schistosoma mansoni glutamate receptor NMDA 0.0825 0.4499 0.9897
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0082 0.0166 0.0159
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.03 0.1113
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0082 0.0166 0.0291
Loa Loa (eye worm) hypothetical protein 0.0054 0.0004 0.0013
Onchocerca volvulus 0.0115 0.0358 1
Schistosoma mansoni jumonji domain containing protein 0.0141 0.0512 0.1118
Schistosoma mansoni hypothetical protein 0.0291 0.1383 0.3038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0115 0.0357 0.0351
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0077 0.077
Echinococcus granulosus nmda type glutamate receptor 0.0744 0.4023 0.7344
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4546 1
Brugia malayi cytoplasmic intermediate filament protein 0.0061 0.0048 0.0151
Echinococcus multilocularis nmda type glutamate receptor 0.0744 0.4023 0.4019
Brugia malayi Probable ClpP-like protease 0.0083 0.0174 0.0622
Echinococcus granulosus intermediate filament protein 0.0115 0.0358 0.0641
Schistosoma mansoni hypothetical protein 0.0704 0.3794 0.8344
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0082 0.0166 0.0291
Echinococcus multilocularis geminin 0.0704 0.3794 0.3789
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0174 0.1168
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0082 0.0166 0.0291
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0209 0.091 1
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0107 0.0372
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0124 0.041 0.0403
Schistosoma mansoni hypothetical protein 0.0082 0.0166 0.0358
Brugia malayi intermediate filament protein 0.0115 0.0358 0.1304
Loa Loa (eye worm) hypothetical protein 0.0516 0.2697 1
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0209 0.091 1
Schistosoma mansoni hypothetical protein 0.0115 0.0357 0.0779
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0077 0.0128
Brugia malayi MH2 domain containing protein 0.0131 0.0451 0.165
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0451 0.1672
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0007 0.0008
Echinococcus granulosus geminin 0.0704 0.3794 0.6925
Echinococcus granulosus lysine specific demethylase 5A 0.01 0.0273 0.0486
Echinococcus multilocularis lysine specific demethylase 5A 0.01 0.0273 0.0266
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0083 0.0174 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0115 0.0357 0.0641
Entamoeba histolytica hypothetical protein 0.0115 0.0357 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0082 0.0166 0.0591
Schistosoma mansoni transcription factor LCR-F1 0.0115 0.0357 0.0779
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0115 0.0358 0.1327
Echinococcus multilocularis NMDA receptor 0.0082 0.0166 0.0159
Schistosoma mansoni peptidase Clp (S14 family) 0.0083 0.0174 0.0376
Schistosoma mansoni hypothetical protein 0.0704 0.3794 0.8344
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0291 0.1386 0.138
Loa Loa (eye worm) jmjC domain-containing protein 0.01 0.0273 0.1011
Echinococcus multilocularis lamin 0.0115 0.0358 0.0351
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0082 0.0166 0.0159
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0082 0.0166 0.0159
Loa Loa (eye worm) hypothetical protein 0.0055 0.0012 0.0045
Echinococcus granulosus glutamate receptor NMDA 0.0702 0.3779 0.6898
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0061 0.0048 0.0177
Schistosoma mansoni hypothetical protein 0.0105 0.0303 0.066
Echinococcus granulosus glutamate receptor subunit protein glur 0.0082 0.0166 0.0291
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0077 0.007
Onchocerca volvulus 0.0105 0.0303 0.8461
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0083 0.0174 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0124 0.041 0.0403
Schistosoma mansoni lamin 0.0115 0.0358 0.078
Loa Loa (eye worm) hypothetical protein 0.0068 0.0084 0.0313
Loa Loa (eye worm) MBCTL1 0.0054 0.0007 0.0026
Schistosoma mansoni jumonji/arid domain-containing protein 0.01 0.0273 0.0592
Schistosoma mansoni glutamate receptor kainate 0.0082 0.0166 0.0358
Echinococcus granulosus tumor protein p63 0.0368 0.1832 0.3338
Schistosoma mansoni survival motor neuron protein 0.0105 0.0303 0.066
Entamoeba histolytica hypothetical protein 0.0115 0.0357 0.5
Schistosoma mansoni glutamate receptor kainate 0.0082 0.0166 0.0358
Schistosoma mansoni jumonji/arid domain-containing protein 0.01 0.0273 0.0592
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0209 0.091 1
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0451 0.1672
Echinococcus multilocularis survival motor neuron protein 1 0.0516 0.2697 0.2691
Schistosoma mansoni glutamate receptor kainate 0.0082 0.0166 0.0358
Brugia malayi jmjC domain containing protein 0.01 0.0273 0.0987
Echinococcus granulosus nmda type glutamate receptor 0.0993 0.5475 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0007 0.0026
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.03 0.1089
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0209 0.091 1
Echinococcus multilocularis nmda type glutamate receptor 0.0993 0.5475 0.5472
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4546 0.83
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0044 0.0165
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0055 0.0012 0.0005
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4546 0.4542
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0077 0.0162
Echinococcus granulosus glutamate receptor 2 0.0124 0.041 0.0737
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0174 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0124 0.041 0.0403
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0209 0.091 1
Loa Loa (eye worm) glutamate receptor 1 0.0082 0.0166 0.0616
Brugia malayi Glutamate receptor 2 precursor 0.0082 0.0166 0.0591
Echinococcus multilocularis tumor protein p63 0.0368 0.1832 0.1827
Schistosoma mansoni glutamate receptor AMPA 0.0082 0.0166 0.0358
Echinococcus granulosus survival motor neuron protein 1 0.0516 0.2697 0.4918
Brugia malayi hypothetical protein 0.0115 0.0357 0.1303
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0083 0.0174 0.1168
Onchocerca volvulus 0.0115 0.0358 1
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0083 0.0174 0.0306
Echinococcus multilocularis glutamate receptor NMDA 0.0702 0.3779 0.3774
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0161 0.0627 0.0621
Schistosoma mansoni glutamate receptor AMPA 0.0082 0.0166 0.0358
Loa Loa (eye worm) hypothetical protein 0.0115 0.0358 0.1327
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0161 0.0627 0.1134
Brugia malayi Intermediate filament tail domain containing protein 0.0115 0.0358 0.1304
Echinococcus multilocularis glutamate receptor 2 0.0124 0.041 0.0403
Echinococcus granulosus glutamate NMDA receptor subunit 0.0082 0.0166 0.0291
Entamoeba histolytica hypothetical protein 0.0115 0.0357 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0077 0.0162
Loa Loa (eye worm) hypothetical protein 0.0072 0.0107 0.0397
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0188 0.0788 0.0781
Chlamydia trachomatis glutamine binding protein 0.0209 0.091 1
Schistosoma mansoni hypothetical protein 0.0072 0.0107 0.0228
Echinococcus multilocularis lamin dm0 0.0115 0.0358 0.0351
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0083 0.0174 0.0167
Brugia malayi jmjC domain containing protein 0.0161 0.0627 0.2306
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0105 0.0303 0.1101
Echinococcus multilocularis glutamate receptor 2 0.0082 0.0166 0.0159
Loa Loa (eye worm) glutamate receptor 2 0.0082 0.0166 0.0616
Schistosoma mansoni intermediate filament proteins 0.0115 0.0358 0.078
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.03 0.1089
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0082 0.0166 0.0159
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0077 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0083 0.0174 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0083 0.0174 1
Schistosoma mansoni lamin 0.0115 0.0358 0.078
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0124 0.041 0.0737
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0124 0.041 0.0737
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0124 0.041 0.0737
Entamoeba histolytica hypothetical protein 0.0115 0.0357 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.0174 0.0647

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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