Detailed information for compound 887612

Basic information

Technical information
  • TDR Targets ID: 887612
  • Name: methyl 2-(6-cyclohexyl-4,7-dimethyl-1,3-dioxo purino[7,8-a]imidazol-2-yl)acetate
  • MW: 373.406 | Formula: C18H23N5O4
  • H donors: 0 H acceptors: 4 LogP: 2.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cn1c(=O)n(C)c2c(c1=O)n1cc(n(c1n2)C1CCCCC1)C
  • InChi: 1S/C18H23N5O4/c1-11-9-21-14-15(19-17(21)23(11)12-7-5-4-6-8-12)20(2)18(26)22(16(14)25)10-13(24)27-3/h9,12H,4-8,10H2,1-3H3
  • InChiKey: NQICBLPIRGHXSM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • methyl 2-(6-cyclohexyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl)acetate
  • 2-(6-cyclohexyl-4,7-dimethyl-1,3-dioxo-2-purino[7,8-a]imidazolyl)acetic acid methyl ester
  • 2-(6-cyclohexyl-1,3-diketo-4,7-dimethyl-purino[7,8-a]imidazol-2-yl)acetic acid methyl ester
  • methyl 2-(6-cyclohexyl-4,7-dimethyl-1,3-dioxo-purino[7,8-a]imidazol-2-yl)ethanoate
  • STOCK5S-27677

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 conserved hypothetical protein 0.0091 0.0933 0.5
Brugia malayi IPT/TIG domain containing protein 0.0091 0.0933 0.0933
Schistosoma mansoni plexin 0.0496 0.834 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0933 0.5
Schistosoma mansoni hypothetical protein 0.0207 0.3062 0.3671
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0625 0.0749
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0933 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0058 0.0337 0.0337
Loa Loa (eye worm) plexin A 0.0587 1 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0933 0.0933
Echinococcus granulosus semaphorin 1A 0.0207 0.3062 0.2599
Echinococcus granulosus exocyst complex component 2 0.0091 0.0933 0.0329
Schistosoma mansoni hypothetical protein 0.0091 0.0933 0.1118
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.0625 0.0625
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0091 0.0933 0.5
Loa Loa (eye worm) hypothetical protein 0.0207 0.3062 0.3062
Loa Loa (eye worm) hypothetical protein 0.0207 0.3062 0.3062
Echinococcus multilocularis semaphorin 5B 0.0207 0.3062 0.2599
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0337 0.0337
Schistosoma mansoni hypothetical protein 0.0091 0.0933 0.1118
Entamoeba histolytica protein kinase domain containing protein 0.0115 0.1377 1
Loa Loa (eye worm) hypothetical protein 0.0207 0.3062 0.3062
Echinococcus multilocularis hypothetical protein 0.0207 0.3062 0.2599
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.0625 0.0625
Loa Loa (eye worm) hypothetical protein 0.0207 0.3062 0.3062
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0091 0.0933 0.5
Schistosoma mansoni semaphorin 5-related 0.0207 0.3062 0.3671
Brugia malayi Sema domain containing protein 0.0207 0.3062 0.3062
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0933 0.5
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0625 0.0749
Echinococcus granulosus transcription factor collier 0.0091 0.0933 0.0329
Loa Loa (eye worm) hypothetical protein 0.0289 0.4551 0.4551
Loa Loa (eye worm) sema domain-containing protein 0.0207 0.3062 0.3062
Brugia malayi Probable exocyst complex component Sec5 0.0091 0.0933 0.0933
Loa Loa (eye worm) hypothetical protein 0.0091 0.0933 0.0933
Loa Loa (eye worm) hypothetical protein 0.0091 0.0933 0.0933
Brugia malayi DNA-binding protein LAG-1 0.0091 0.0933 0.0933
Loa Loa (eye worm) sema domain-containing protein 0.0207 0.3062 0.3062
Loa Loa (eye worm) TAR-binding protein 0.0074 0.0625 0.0625
Loa Loa (eye worm) hypothetical protein 0.0091 0.0933 0.0933
Schistosoma mansoni hypothetical protein 0.0289 0.4551 0.5457
Brugia malayi Sema domain containing protein 0.0207 0.3062 0.3062
Loa Loa (eye worm) hypothetical protein 0.0207 0.3062 0.3062
Entamoeba histolytica tyrosin kinase, putative 0.0115 0.1377 1
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0933 0.5
Brugia malayi Plexin repeat family protein 0.0496 0.834 0.834
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0091 0.0933 0.5
Onchocerca volvulus 0.0496 0.834 1
Echinococcus granulosus semaphorin 5B 0.0207 0.3062 0.2599
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0933 0.5
Brugia malayi hypothetical protein 0.0207 0.3062 0.3062
Brugia malayi TAR-binding protein 0.0074 0.0625 0.0625
Echinococcus multilocularis exocyst complex component 2 0.0091 0.0933 0.0329
Schistosoma mansoni hypothetical protein 0.0207 0.3062 0.3671
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0625 0.0749
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0337 0.0337
Echinococcus granulosus plexin a4 0.0587 1 1
Loa Loa (eye worm) RNA binding protein 0.0074 0.0625 0.0625
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0091 0.0933 0.5
Echinococcus multilocularis transcription factor collier 0.0091 0.0933 0.0329
Trichomonas vaginalis conserved hypothetical protein 0.0091 0.0933 0.5
Brugia malayi RNA binding protein 0.0074 0.0625 0.0625
Schistosoma mansoni plexin 0.0289 0.4551 0.5457
Loa Loa (eye worm) hypothetical protein 0.0496 0.834 0.834
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0625 0.0749
Echinococcus multilocularis plexin a4 0.0587 1 1
Brugia malayi hypothetical protein 0.0207 0.3062 0.3062
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0091 0.0933 0.5
Schistosoma mansoni fibrocystin l 0.0091 0.0933 0.1118
Schistosoma mansoni tar DNA-binding protein 0.0074 0.0625 0.0749
Loa Loa (eye worm) hypothetical protein 0.0207 0.3062 0.3062

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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