Detailed information for compound 1773371

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 364.399 | Formula: C23H16N4O
  • H donors: 2 H acceptors: 3 LogP: 3.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2c(/C/1=C\c1ccc3c(c1)[nH]nc3/C=C/c1cccnc1)cccc2
  • InChi: 1S/C23H16N4O/c28-23-19(17-5-1-2-6-20(17)25-23)12-16-7-9-18-21(26-27-22(18)13-16)10-8-15-4-3-11-24-14-15/h1-14H,(H,25,28)(H,26,27)/b10-8+,19-12+
  • InChiKey: CPIOXRCBBSICIO-SLUIUKIVSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 2 Starlite/ChEMBL References
Homo sapiens polo-like kinase 4 Starlite/ChEMBL References
Homo sapiens polo-like kinase 3 Starlite/ChEMBL References
Homo sapiens polo-like kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni kinase Get druggable targets OG5_134726 All targets in OG5_134726
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Serine:threonine protein kinase PLK4 Get druggable targets OG5_134726 All targets in OG5_134726
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK4, putative Get druggable targets OG5_134726 All targets in OG5_134726
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396

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 casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Giardia lamblia Kinase, CMGC CK2 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Schistosoma mansoni serine/threonine protein kinase 0.0404 0.5075 0.2202
Trypanosoma cruzi polo-like protein kinase, putative 0.0404 0.5075 0.2202
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0628 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0404 0.5075 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0404 0.5075 0.2202
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Trypanosoma brucei polo-like protein kinase 0.0404 0.5075 0.2202
Trypanosoma brucei Casein kinase II 0.0628 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Trypanosoma cruzi casein kinase II, putative 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trypanosoma cruzi polo-like protein kinase, putative 0.0404 0.5075 0.2202
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0404 0.5075 0.2202
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0404 0.5075 0.2202
Leishmania major casein kinase II, putative 0.0628 1 1
Entamoeba histolytica casein kinase, putative 0.0628 1 1
Schistosoma mansoni protein kinase 0.0628 1 1
Plasmodium vivax unspecified product 0.0628 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0628 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0404 0.5075 0.2202
Trichomonas vaginalis CAMK family protein kinase 0.0404 0.5075 0.5075
Echinococcus granulosus casein kinase ii subunit alpha 0.0628 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0404 0.5075 0.2202
Giardia lamblia Kinase, PLK 0.0404 0.5075 0.2202
Entamoeba histolytica protein kinase domain containing protein 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Schistosoma mansoni kinase 0.0371 0.4328 0.1018
Trichomonas vaginalis CMGC family protein kinase 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Echinococcus multilocularis casein kinase ii subunit alpha 0.0628 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Brugia malayi serine/threonine-protein kinase plk-2 0.0404 0.5075 0.2202
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684
Trichomonas vaginalis casein kinase II beta chain, putative 0.0341 0.3684 0.3684

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 12 uM Antiproliferative activity against human HCC1954 cells assessed as growth inhibition after 5 days by SRB assay ChEMBL. 23829549
IC50 (binding) = 2 nM Inhibition of N-terminal GST-tagged human PLK4 (1 to 391 amino acids) expressed in Escherichia coli using TMB as substrate after 30 mins by indirect ELISA assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK3 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK2 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549
IC50 (binding) > 10 uM Inhibition of PLK1 (unknown origin) by FRET-based homogeneous assay ChEMBL. 23829549

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.