Detailed information for compound 700339

Basic information

Technical information
  • TDR Targets ID: 700339
  • Name: 2-[6-(3,5-dimethylphenyl)-4-methyl-1,3-dioxo- 7-phenylpurino[7,8-a]imidazol-2-yl]acetamide
  • MW: 442.47 | Formula: C24H22N6O3
  • H donors: 1 H acceptors: 4 LogP: 3.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)c1cc(C)cc(c1)C)c1ccccc1
  • InChi: 1S/C24H22N6O3/c1-14-9-15(2)11-17(10-14)30-18(16-7-5-4-6-8-16)12-28-20-21(26-23(28)30)27(3)24(33)29(22(20)32)13-19(25)31/h4-12H,13H2,1-3H3,(H2,25,31)
  • InChiKey: KOOPKNDKEPCWOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-(3,5-dimethylphenyl)-4-methyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-2-yl]acetamide
  • 2-[6-(3,5-dimethylphenyl)-4-methyl-1,3-dioxo-7-phenyl-2-purino[7,8-a]imidazolyl]acetamide
  • 2-[6-(3,5-dimethylphenyl)-1,3-diketo-4-methyl-7-phenyl-purino[7,8-a]imidazol-2-yl]acetamide
  • 2-[6-(3,5-dimethylphenyl)-4-methyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-2-yl]ethanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) excitatory amino acid transporter 0.1833 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0126 0.05 0.05
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.05 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.1833 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0069 0.0057
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1833 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0069 0.0069
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0069 0.0069
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0214 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0069 0.0069
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.0506 0.0495
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0812 0.432 0.432
Echinococcus multilocularis neutral amino acid transporter A 0.1833 1 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0012 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0126 0.05 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0069 0.0069
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0247 0.1172 0.1161
Echinococcus multilocularis excitatory amino acid transporter 3 0.1833 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0214 0.0202
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.0765 0.0765
Echinococcus multilocularis Excitatory amino acid transporter 0.1833 1 1
Schistosoma mansoni alpha-glucosidase 0.0149 0.063 0.063
Brugia malayi MH2 domain containing protein 0.0127 0.0506 0.0506
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.05 1
Toxoplasma gondii ABC1 family protein 0.0075 0.0214 0.4129
Loa Loa (eye worm) hypothetical protein 0.0075 0.0214 0.0202
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0126 0.05 0.05
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0214 1
Brugia malayi beta-lactamase family protein 0.0075 0.0214 0.0214
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1833 1 1
Brugia malayi follicle stimulating hormone receptor 0.0247 0.1172 0.1172
Chlamydia trachomatis glutamate symporter 0.1833 1 1
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0214 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0075 0.0214 0.0202
Loa Loa (eye worm) hypothetical protein 0.0159 0.0684 0.0673
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.0506 0.0495
Echinococcus granulosus neutral amino acid transporter A 0.1833 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0214 0.0214
Echinococcus multilocularis Excitatory amino acid transporter 0.1833 1 1
Schistosoma mansoni alpha-glucosidase 0.0149 0.063 0.063
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0812 0.432 0.432
Loa Loa (eye worm) hypothetical protein 0.0075 0.0214 0.0202
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0214 1
Echinococcus granulosus excitatory amino acid transporter 2 0.1833 1 1
Brugia malayi beta-lactamase 0.0075 0.0214 0.0214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0069 0.0069
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0069 0.0069
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0812 0.432 0.432
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0069 0.0069
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0812 0.432 0.432
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0214 1
Leishmania major hypothetical protein, conserved 0.0075 0.0214 0.4129
Onchocerca volvulus 0.01 0.0357 0.0146
Echinococcus multilocularis muscleblind protein 1 0.0159 0.0684 0.0684
Echinococcus multilocularis lysosomal alpha glucosidase 0.0174 0.0765 0.0765
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0214 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0214 0.0202
Brugia malayi beta-lactamase family protein 0.0075 0.0214 0.0214
Echinococcus granulosus excitatory amino acid transporter 3 0.1833 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.05 0.05
Loa Loa (eye worm) beta-lactamase 0.0075 0.0214 0.0202
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0214 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0174 0.0765 0.0765
Mycobacterium leprae Probable lipase LipE 0.0075 0.0214 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0039 0.0012 0.0012
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1833 1 1
Treponema pallidum glutamate/aspartate transporter 0.0812 0.432 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.05 0.05
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0.0012 1
Echinococcus multilocularis muscleblind protein 0.0159 0.0684 0.0684
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0214 0.0214
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0214 0.0214
Echinococcus granulosus Excitatory amino acid transporter 0.1833 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0214 0.0202
Echinococcus multilocularis neutral amino acid transporter A 0.1833 1 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.1833 1 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0039 0.0012 0.0012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.05 1
Echinococcus granulosus excitatory amino acid transporter 2 0.1833 1 1
Echinococcus granulosus neutral amino acid transporter 0.1833 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0214 0.0214
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0214 0.5
Echinococcus granulosus muscleblind protein 0.0159 0.0684 0.0684
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0214 0.0202
Brugia malayi Muscleblind-like protein 0.0159 0.0684 0.0684
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1833 1 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0174 0.0765 0.0765
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0174 0.0765 0.0753
Loa Loa (eye worm) hypothetical protein 0.0159 0.0684 0.0673
Schistosoma mansoni alpha glucosidase 0.0039 0.0012 0.0012
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0126 0.05 0.0293
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1833 1 1
Echinococcus granulosus neutral amino acid transporter A 0.1833 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0477 0.2455 0.229
Echinococcus multilocularis excitatory amino acid transporter 2 0.1833 1 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0039 0.0012 0.0012
Echinococcus multilocularis neutral amino acid transporter A 0.1833 1 1
Treponema pallidum glutamate transporter 0.0812 0.432 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0126 0.05 1
Echinococcus granulosus Excitatory amino acid transporter 0.1833 1 1
Trichomonas vaginalis esterase, putative 0.0075 0.0214 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1833 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0214 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0214 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0214 0.0214

Activities

No activities found for this compound.

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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