Detailed information for compound 43771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 235.239 | Formula: C11H13N3O3
  • H donors: 2 H acceptors: 4 LogP: -0.27 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(CC1O)n1cnc2c1ccnc2
  • InChi: 1S/C11H13N3O3/c15-5-10-9(16)3-11(17-10)14-6-13-7-4-12-2-1-8(7)14/h1-2,4,6,9-11,15-16H,3,5H2
  • InChiKey: ICRFUVHKFMKEIV-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
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Entamoeba histolytica protein kinase, putative 0.0157 0.0083 0.0102
Echinococcus multilocularis rho associated protein kinase 0.031 0.1984 0.3363
Loa Loa (eye worm) hypothetical protein 0.0161 0.0136 0.0136
Brugia malayi Hr1 repeat family protein 0.0426 0.3428 0.3428
Echinococcus granulosus protein kinase c iota type 0.0255 0.1307 0.2181
Loa Loa (eye worm) hypothetical protein 0.0698 0.6805 0.6805
Brugia malayi C1-like domain containing protein 0.0165 0.0188 0.0188
Echinococcus multilocularis serine:threonine protein kinase N2 0.0271 0.1504 0.2526
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0616 0.5783 0.5783
Echinococcus multilocularis serine threonine protein kinase 0.0324 0.2161 0.3674
Echinococcus granulosus serine:threonine protein kinase N2 0.0353 0.2522 0.4303
Echinococcus multilocularis protein kinase c iota type 0.0255 0.1307 0.2181
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0155 0.0058 0.0058
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Trichomonas vaginalis AGC family protein kinase 0.0155 0.0058 0.6725
Trichomonas vaginalis AGC family protein kinase 0.0155 0.0058 0.6725
Loa Loa (eye worm) AGC/NDR protein kinase 0.0155 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0799 0.8053 0.8053
Schistosoma mansoni serine/threonine protein kinase 0.0616 0.5783 1
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.341 0.5855
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0165 0.0188 0.0188
Echinococcus multilocularis serine:threonine protein kinase N2 0.0504 0.4393 0.7572
Loa Loa (eye worm) AGC/PKN protein kinase 0.0426 0.3428 0.3428
Schistosoma mansoni serine/threonine protein kinase 0.0426 0.3428 0.5887
Loa Loa (eye worm) hypothetical protein 0.0853 0.8729 0.8729
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0155 0.0058 0.0058
Echinococcus granulosus RNA directed DNA polymerase 0.0158 0.0096 0.0066
Loa Loa (eye worm) hypothetical protein 0.0698 0.6805 0.6805
Trypanosoma brucei rac serine-threonine kinase, putative 0.0157 0.0083 0.5
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0355 0.2547 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0157 0.0083 0.0083
Echinococcus granulosus protein kinase C gamma type 0.0324 0.2161 0.3674
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0425 0.341 0.5855
Onchocerca volvulus 0.0698 0.6805 1
Trichomonas vaginalis AGC family protein kinase 0.0155 0.0058 0.6725
Schistosoma mansoni serine/threonine protein kinase 0.031 0.1984 0.3363
Echinococcus multilocularis protein kinase c epsilon type 0.0616 0.5783 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0426 0.3428 0.5887
Brugia malayi Protein kinase c protein 2 0.0274 0.1538 0.1538
Echinococcus multilocularis RNA directed DNA polymerase 0.0158 0.0096 0.0066
Brugia malayi Protein kinase domain containing protein 0.0155 0.0058 0.0058
Echinococcus granulosus serine:threonine protein kinase N2 0.0426 0.3428 0.5887
Entamoeba histolytica protein kinase, putative 0.0157 0.0083 0.0102
Onchocerca volvulus 0.0306 0.1931 0.2692
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0174 0.029 0.029
Echinococcus granulosus Protein kinase C brain isozyme 0.0425 0.341 0.5855
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0955 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0425 0.341 0.5855
Brugia malayi Protein kinase domain containing protein 0.0157 0.0083 0.0083
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Schistosoma mansoni atypical protein kinase C 0.0255 0.1307 0.2181
Loa Loa (eye worm) hypothetical protein 0.0158 0.0096 0.0096
Schistosoma mansoni protein kinase C mu 0.0165 0.0188 0.0228
Loa Loa (eye worm) hypothetical protein 0.0258 0.1345 0.1345
Brugia malayi protein kinase C II. 0.0616 0.5783 0.5783
Loa Loa (eye worm) hypothetical protein 0.0163 0.0162 0.0162
Loa Loa (eye worm) hypothetical protein 0.0698 0.6805 0.6805
Echinococcus granulosus serine:threonine protein kinase N2 0.0271 0.1504 0.2526
Onchocerca volvulus 0.0163 0.0162 0.0038
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0155 0.0058 0.0058
Brugia malayi p70 ribosomal S6 kinase beta 0.0155 0.0058 0.0058
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0165 0.0188 0.0188
Brugia malayi Protein kinase domain containing protein 0.0155 0.0058 0.0058
Echinococcus granulosus rho-associated protein kinase 1 0.031 0.1984 0.3363
Toxoplasma gondii AGC kinase 0.0155 0.0058 0.5
Trichomonas vaginalis AGC family protein kinase 0.0157 0.0083 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0155 0.0058 0.0058
Echinococcus granulosus protein kinase c epsilon type 0.0616 0.5783 1
Onchocerca volvulus 0.031 0.1984 0.277
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0158 0.0096 0.0066

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 9 mg kg-1 Dose required to produce an acute inflammatory response of the algal poly saccharide carrageenan into the pleural cavity of rat. ChEMBL. 3941408
Inhibition (functional) = 0 % Compound was tested for inhibition of mouse connective tissue cell (L) growth at a concentration of 100 uM ChEMBL. 3941408
Inhibition (functional) < 5 % Inhibition of lymphocyte-mediated cytolysis at a concentratioon of 100 uM in [51Cr]- labelled EL4 leukemia cells ChEMBL. 3941408
Inhibition (functional) = 6 % Compound was tested for inhibition of human sternal marrow cell (D98) growth at a concentration of 100 uM ChEMBL. 3941408

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

1 literature reference was collected for this gene.

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