Detailed information for compound 1772917

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.356 | Formula: C18H18FN3O
  • H donors: 0 H acceptors: 2 LogP: 3.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [18F]CCOc1ccc2c(c1)nc(cn2)c1ccc(cc1)N(C)C
  • InChi: 1S/C18H18FN3O/c1-22(2)14-5-3-13(4-6-14)18-12-20-16-8-7-15(23-10-9-19)11-17(16)21-18/h3-8,11-12H,9-10H2,1-2H3/i19-1
  • InChiKey: VZZYFTWGRYEVNL-AWDFDDCISA-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
Mycobacterium ulcerans hypothetical protein 0.2688 0.5593 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4554 1 1
Loa Loa (eye worm) hypothetical protein 0.4477 0.9818 0.9818
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4554 1 1
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0448 0.0304 0.0304
Echinococcus multilocularis PAK box P21 Rho binding 0.0326 0.0015 0.0015
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.4477 0.9818 0.9706
Onchocerca volvulus 0.4554 1 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.4477 0.9818 0.9813
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.2688 0.5593 1
Schistosoma mansoni serine/threonine protein kinase 0.0448 0.0304 0.0304
Echinococcus granulosus serine:threonine protein kinase PAK 1 0.0442 0.0289 0.0289
Schistosoma mansoni protein kinase 0.0326 0.0015 0.0015
Loa Loa (eye worm) raf kinase 0.2145 0.431 0.431
Trichomonas vaginalis STE family protein kinase 0.0768 0.1058 1
Schistosoma mansoni protein kinase 0.0768 0.1058 0.1058
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.1222 0.2131 0.2131
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.4477 0.9818 0.9813
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0326 0.0015 0.0015
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4554 1 1
Schistosoma mansoni 6-phosphofructokinase 0.4554 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1943 0.3834 0.3641
Trichomonas vaginalis STE family protein kinase 0.0768 0.1058 1
Brugia malayi Protein kinase domain 0.0768 0.1058 0.2546
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0768 0.1058 0.1058
Schistosoma mansoni serine/threonine protein kinase 0.033 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0761 0.1043 0.1043
Echinococcus multilocularis raf serine:threonine protein kinase 0.2155 0.4335 0.4335
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.2688 0.5593 0.5
Brugia malayi serine/threonine-protein kinase PAK 7 0.0326 0.0015 0.0036
Schistosoma mansoni tyrosine kinase 0.033 0.0025 0.0025
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0768 0.1058 0.1058
Echinococcus granulosus raf serine:threonine protein kinase 0.2155 0.4335 0.4335
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0768 0.1058 0.1058
Schistosoma mansoni protein kinase 0.0768 0.1058 0.1058
Loa Loa (eye worm) STE/STE20/PAKA protein kinase 0.0448 0.0304 0.0304
Entamoeba histolytica p21-activated kinase 0.0768 0.1058 0.1892
Entamoeba histolytica protein kinase, putative 0.0326 0.0015 0.0027
Giardia lamblia Hypothetical protein 0.2688 0.5593 1
Giardia lamblia Hypothetical protein 0.2688 0.5593 1
Trichomonas vaginalis mitogen-activated protein kinase kinase kinase 3, MAPKKK3, MEKK3, putative 0.0448 0.0304 0.2768
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.1943 0.3834 0.3641
Trichomonas vaginalis STE family protein kinase 0.0768 0.1058 1
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0768 0.1058 0.1058
Trichomonas vaginalis STE family protein kinase 0.0768 0.1058 1
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0768 0.1058 0.1058
Brugia malayi p21/Cdc42/Rac1-activated kinase 0.0448 0.0304 0.0731
Loa Loa (eye worm) hypothetical protein 0.4554 1 1
Entamoeba histolytica protein kinase, putative 0.0326 0.0015 0.0027
Entamoeba histolytica protein kinase, putative 0.0326 0.0015 0.0027
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0768 0.1058 0.1058
Loa Loa (eye worm) hypothetical protein 0.2611 0.5411 0.5411
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4477 0.9818 0.9706
Brugia malayi Raf kinase 0.208 0.4157 1
Trichomonas vaginalis conserved hypothetical protein 0.0761 0.1043 0.9857
Schistosoma mansoni serine/threonine protein kinase 0.2155 0.4335 0.4335
Entamoeba histolytica protein kinase, putative 0.0768 0.1058 0.1892
Schistosoma mansoni serine/threonine protein kinase 0.0448 0.0304 0.0304
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.4554 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.4554 1 1

Activities

Activity type Activity value Assay description Source Reference
Drug uptake (ADMET) = 1.48 % ID/g Biodistribution in Tg2576 ddY mouse brain at 23.4 to 48.2 kBq, iv measured at 60 mins by autoradiography ChEMBL. 24900717

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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