Detailed information for compound 1068962

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.392 | Formula: C18H22N4O3
  • H donors: 1 H acceptors: 2 LogP: 2.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCOc1cc2ncc3c(c2cc1OC)cc(nc3N)N(C)C
  • InChi: 1S/C18H22N4O3/c1-22(2)17-8-11-12-7-15(24-4)16(25-6-5-23-3)9-14(12)20-10-13(11)18(19)21-17/h7-10H,5-6H2,1-4H3,(H2,19,21)
  • InChiKey: CHEJHTIJWPOIFZ-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 3-phosphoinositide dependent protein kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Brugia malayi phosphoinositide-dependent protein kinase I Get druggable targets OG5_128785 All targets in OG5_128785
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma japonicum ko:K06276 3-phosphoinositide dependent protein kinase-1, putative Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Candida albicans similar to S. cerevisiae protein kinases PKH1 (YDR490C) and PKH2 (YOL100W) involved in MAPKKK cascade Get druggable targets OG5_128785 All targets in OG5_128785
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 Get druggable targets OG5_128785 All targets in OG5_128785
Loa Loa (eye worm) AGC/PDK1 protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Trichomonas vaginalis AGC family protein kinase Get druggable targets OG5_128785 All targets in OG5_128785
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_128785 All targets in OG5_128785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128785 All targets in OG5_128785

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
Loa Loa (eye worm) hypothetical protein 0.0028 0.3156 0.3156
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.567 0.567
Loa Loa (eye worm) hypothetical protein 0.0028 0.3271 0.3271
Onchocerca volvulus 0.0028 0.3271 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.567 0.3566
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.3271 0.3038
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.567 0.567
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.3271 0.3271
Loa Loa (eye worm) intermediate filament protein 0.0028 0.3271 0.3271
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0336 0.0336
Echinococcus multilocularis musashi 0.0028 0.3271 0.3271
Echinococcus granulosus lamin 0.0028 0.3271 0.3271
Brugia malayi hypothetical protein 0.0039 0.567 0.552
Echinococcus multilocularis lamin dm0 0.0028 0.3271 0.3271
Schistosoma mansoni hypothetical protein 0.0039 0.567 0.3566
Brugia malayi intermediate filament protein 0.0028 0.3271 0.3038
Echinococcus multilocularis lamin 0.0028 0.3271 0.3271
Echinococcus granulosus lamin dm0 0.0028 0.3271 0.3271
Onchocerca volvulus 0.0028 0.3271 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.3271 0.3271

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 739 nM Inhibition of PDPK1 by ELISA assay ChEMBL. 19628388

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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