Detailed information for compound 700341

Basic information

Technical information
  • TDR Targets ID: 700341
  • Name: ethyl 2-[6-(3,4-dimethylphenyl)-4-methyl-1,3- dioxo-7-phenylpurino[7,8-a]imidazol-2-yl]acet ate
  • MW: 471.508 | Formula: C26H25N5O4
  • H donors: 0 H acceptors: 4 LogP: 4.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1c(=O)c2n3cc(n(c3nc2n(c1=O)C)c1ccc(c(c1)C)C)c1ccccc1
  • InChi: 1S/C26H25N5O4/c1-5-35-21(32)15-30-24(33)22-23(28(4)26(30)34)27-25-29(22)14-20(18-9-7-6-8-10-18)31(25)19-12-11-16(2)17(3)13-19/h6-14H,5,15H2,1-4H3
  • InChiKey: VNSSXVPXRUDYKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[6-(3,4-dimethylphenyl)-4-methyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-2-yl]acetate
  • 2-[6-(3,4-dimethylphenyl)-4-methyl-1,3-dioxo-7-phenyl-2-purino[7,8-a]imidazolyl]acetic acid ethyl ester
  • 2-[6-(3,4-dimethylphenyl)-1,3-diketo-4-methyl-7-phenyl-purino[7,8-a]imidazol-2-yl]acetic acid ethyl ester
  • ethyl 2-[6-(3,4-dimethylphenyl)-4-methyl-1,3-dioxo-7-phenyl-purino[7,8-a]imidazol-2-yl]ethanoate

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
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.1169 0.1169
Trypanosoma cruzi Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0038 0.0011 0.0092
Brugia malayi WGR domain containing protein 0.0288 0.2572 0.2572
Echinococcus multilocularis excitatory amino acid transporter 3 0.1015 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0099 0.0099
Trypanosoma cruzi DNA repair protein, putative 0.0038 0.0011 0.0092
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0158 0.1245 1
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1015 1 1
Echinococcus multilocularis sodium:dicarboxylate symporter 0.045 0.4225 0.4225
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1015 1 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0038 0.0011 0.0011
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0254 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.1015 1 1
Echinococcus granulosus muscleblind protein 0.0151 0.1169 0.1169
Echinococcus granulosus neutral amino acid transporter A 0.1015 1 1
Brugia malayi WGR domain containing protein 0.0158 0.1245 0.1245
Leishmania major hypothetical protein, conserved 0.0038 0.0011 0.0451
Echinococcus multilocularis Excitatory amino acid transporter 0.1015 1 1
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0066 0.0303 0.0303
Entamoeba histolytica hypothetical protein 0.0045 0.0084 0.0328
Leishmania major DNA repair protein, putative 0.0038 0.0011 0.0451
Trypanosoma brucei Poly(ADP-ribose) polymerase and DNA-Ligase Zn-finger region/Zinc-finger (CX5CX6HX5H) motif containing protein, putative 0.0038 0.0011 0.0092
Treponema pallidum glutamate transporter 0.045 0.4225 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.045 0.4225 0.4225
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0084 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0099 0.0099
Echinococcus granulosus excitatory amino acid transporter 2 0.1015 1 1
Treponema pallidum glutamate/aspartate transporter 0.045 0.4225 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0165 0.1308 0.1308
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0099 0.0099
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0254 0.0254
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0288 0.2572 0.2572
Echinococcus granulosus excitatory amino acid transporter 3 0.1015 1 1
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0137 0.1027 0.1027
Trypanosoma brucei DNA repair protein, putative 0.0038 0.0011 0.0092
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0254 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0165 0.1308 0.1308
Echinococcus granulosus Excitatory amino acid transporter 0.1015 1 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1245 0.1245
Echinococcus granulosus poly ADP ribose polymerase 1 0.0288 0.2572 0.2572
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1015 1 1
Echinococcus granulosus poly adp ribose polymerase 2 0.0158 0.1245 0.1245
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0158 0.1245 0.1245
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0158 0.1245 0.1245
Schistosoma mansoni alpha-glucosidase 0.0142 0.1074 0.1074
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0099 0.0099
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0158 0.1245 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0254 0.0254
Echinococcus granulosus poly (ADP ribose) polymerase 0.009 0.0542 0.0542
Echinococcus multilocularis neutral amino acid transporter A 0.1015 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0099 0.0099
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1015 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.1015 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Trypanosoma brucei poly(adp-ribose) polymerase 0.0158 0.1245 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.1015 1 1
Echinococcus granulosus Excitatory amino acid transporter 0.1015 1 1
Brugia malayi MH2 domain containing protein 0.0121 0.0859 0.0859
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0099 0.0099
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.1308 0.1308
Onchocerca volvulus 0.0095 0.0599 0.0589
Echinococcus granulosus neutral amino acid transporter A 0.1015 1 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0288 0.2572 0.2572
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.0859 0.0859
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.1015 1 1
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.045 0.4225 0.4225
Echinococcus multilocularis muscleblind protein 0.0151 0.1169 0.1169
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0254 0.0254
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0234 0.2017 0.2017
Echinococcus granulosus lysosomal alpha glucosidase 0.0165 0.1308 0.1308
Schistosoma mansoni alpha-glucosidase 0.0142 0.1074 0.1074
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0254 0.5
Echinococcus granulosus WGR domain containing protein 0.009 0.0542 0.0542
Echinococcus multilocularis neutral amino acid transporter A 0.1015 1 1
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0114 0.0788 0.0788
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0084 0.0084
Brugia malayi Muscleblind-like protein 0.0151 0.1169 0.1169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0099 0.0099
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1015 1 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.1015 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.1169 0.1169
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.045 0.4225 0.4225
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0254 0.5
Echinococcus multilocularis excitatory amino acid transporter 2 0.1015 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0099 0.0099
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0099 0.0099
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0254 0.0254
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1169 0.1169
Chlamydia trachomatis glutamate symporter 0.1015 1 1
Echinococcus granulosus neutral amino acid transporter 0.1015 1 1
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.03 0.2687 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1015 1 1
Brugia malayi follicle stimulating hormone receptor 0.0234 0.2017 0.2017
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0288 0.2572 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0165 0.1308 0.1308
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.0859 0.0859
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0232 0.2001 0.1793
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0254 0.0943
Loa Loa (eye worm) hypothetical protein 0.0219 0.1869 0.1869
Echinococcus multilocularis Excitatory amino acid transporter 0.1015 1 1

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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