Detailed information for compound 1871486

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.506 | Formula: C27H26N2O5
  • H donors: 1 H acceptors: 2 LogP: 4.51 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNC(=O)c1cc(nc2c1cccc2)c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C27H26N2O5/c1-31-19-9-7-8-17(12-19)16-28-27(30)21-15-23(29-22-11-6-5-10-20(21)22)18-13-24(32-2)26(34-4)25(14-18)33-3/h5-15H,16H2,1-4H3,(H,28,30)
  • InChiKey: ZONISJVIXSHTEN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0128 0.1989 0.5
Trichomonas vaginalis AGC family protein kinase 0.0068 0.0866 0.0233
Brugia malayi Hr1 repeat family protein 0.0066 0.0843 0.0843
Echinococcus multilocularis protein kinase c iota type 0.0066 0.0843 0.1783
Loa Loa (eye worm) hypothetical protein 0.0163 0.2632 0.1953
Echinococcus multilocularis rho associated protein kinase 0.0182 0.2977 0.6293
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0843 0.0139
Brugia malayi p70 ribosomal S6 kinase beta 0.0193 0.3183 0.3183
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0128 0.1989 0.4206
Echinococcus multilocularis protein kinase c epsilon type 0.0066 0.0843 0.1783
Echinococcus granulosus serine threonine protein kinase nrc 0.0128 0.1989 0.4206
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0562 1 1
Echinococcus multilocularis nervana 2 0.0127 0.1956 0.4135
Onchocerca volvulus 0.0182 0.2977 1
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Echinococcus multilocularis nervana 2 0.0127 0.1956 0.4135
Toxoplasma gondii AGC kinase 0.0193 0.3183 0.5
Echinococcus granulosus protein kinase C gamma type 0.0066 0.0843 0.1783
Echinococcus granulosus protein kinase c epsilon type 0.0066 0.0843 0.1783
Echinococcus multilocularis serine:threonine protein kinase 38 0.0066 0.0843 0.1783
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0066 0.0843 0.1783
Entamoeba histolytica protein kinase 2, putative 0.0128 0.1989 0.6207
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0066 0.0843 0.1783
Entamoeba histolytica protein kinase, putative 0.0194 0.3205 1
Brugia malayi protein kinase C II. 0.0066 0.0843 0.0843
Entamoeba histolytica PH domain containing protein kinase, putative 0.013 0.2012 0.6277
Brugia malayi Protein kinase domain containing protein 0.0066 0.0843 0.0843
Schistosoma mansoni serine/threonine kinase 0.0066 0.0843 0.2833
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0066 0.0843 0.1783
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Onchocerca volvulus 0.018 0.2943 0.9033
Schistosoma mansoni serine/threonine-protein kinase 0.013 0.2012 0.6759
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0066 0.0843 0.1783
Entamoeba histolytica protein kinase, putative 0.0066 0.0843 0.2631
Echinococcus granulosus serine:threonine protein kinase N2 0.0066 0.0843 0.1783
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0128 0.1989 0.4206
Schistosoma mansoni atypical protein kinase C 0.0066 0.0843 0.2833
Schistosoma mansoni serine/threonine-protein kinase 0.013 0.2012 0.6759
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0843 0.0139
Echinococcus multilocularis neuropeptide s receptor 0.0277 0.473 1
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Echinococcus granulosus rho-associated protein kinase 1 0.0182 0.2977 0.6293
Echinococcus multilocularis rac serine:threonine kinase 0.013 0.2012 0.4253
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0128 0.1989 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Echinococcus multilocularis serine:threonine protein kinase N2 0.0066 0.0843 0.1783
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0066 0.0843 0.1783
Echinococcus granulosus serine/threonine protein kinase 0.013 0.2012 0.4253
Brugia malayi Protein kinase domain containing protein 0.0066 0.0843 0.0843
Echinococcus granulosus Protein kinase C brain isozyme 0.0066 0.0843 0.1783
Trypanosoma cruzi Protein kinase B 0.013 0.2012 1
Echinococcus granulosus neuropeptide receptor A26 0.0277 0.473 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.013 0.2012 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0127 0.1956 0.4135
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0066 0.0843 0.1783
Loa Loa (eye worm) AGC/AKT protein kinase 0.0194 0.3205 0.2579
Brugia malayi Myb-like DNA-binding domain containing protein 0.0158 0.2546 0.2546
Echinococcus granulosus nervana 2 0.0127 0.1956 0.4135
Trypanosoma brucei rac serine-threonine kinase, putative 0.0194 0.3205 0.5
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Echinococcus multilocularis serine threonine protein kinase 0.0066 0.0843 0.1783
Entamoeba histolytica protein kinase, putative 0.0194 0.3205 1
Echinococcus granulosus neuropeptide s receptor 0.0277 0.473 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0066 0.0843 0.1783
Echinococcus multilocularis neuropeptide receptor A26 0.0277 0.473 1
Echinococcus granulosus protein kinase c iota type 0.0066 0.0843 0.1783
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0066 0.0843 0.1783
Echinococcus multilocularis Glutaredoxin protein 5 0.0127 0.1956 0.4135
Entamoeba histolytica PH domain containing protein kinase, putative 0.013 0.2012 0.6277
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Echinococcus granulosus nervana 2 0.0127 0.1956 0.4135
Brugia malayi Protein kinase domain containing protein 0.0194 0.3205 0.3205
Echinococcus granulosus Glutaredoxin protein 5 0.0127 0.1956 0.4135
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.2977 1
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0843 0.0139
Entamoeba histolytica protein kinase, putative 0.0193 0.3183 0.993
Loa Loa (eye worm) hypothetical protein 0.0158 0.2546 0.186
Trichomonas vaginalis AGC family protein kinase 0.0194 0.3205 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0127 0.1956 0.4135
Echinococcus granulosus NDR protein kinase 0.0066 0.0843 0.1783
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0843 0.2833
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0193 0.3183 0.2555
Giardia lamblia Kinase, AGC PKA 0.0128 0.1989 0.5

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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