Detailed information for compound 923233

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.826 | Formula: C19H20ClFN2O
  • H donors: 1 H acceptors: 1 LogP: 5.14 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)N1N=C(CC1c1ccc(c(c1)F)O)C(C)(C)C
  • InChi: 1S/C19H20ClFN2O/c1-19(2,3)18-11-16(12-4-9-17(24)15(21)10-12)23(22-18)14-7-5-13(20)6-8-14/h4-10,16,24H,11H2,1-3H3
  • InChiKey: GITCVVILKRXPES-UHFFFAOYSA-N  


Substructure search Similarity search

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 protein kinase C, iota Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni atypical protein kinase C Get druggable targets OG5_131830 All targets in OG5_131830
Brugia malayi protein kinase C3,putative Get druggable targets OG5_131830 All targets in OG5_131830
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase Get druggable targets OG5_131830 All targets in OG5_131830
Schistosoma japonicum ko:K06069 atypical protein kinase C, putative Get druggable targets OG5_131830 All targets in OG5_131830
Echinococcus granulosus protein kinase c iota type Get druggable targets OG5_131830 All targets in OG5_131830
Echinococcus multilocularis protein kinase c iota type Get druggable targets OG5_131830 All targets in OG5_131830
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) AGC/PKC/IOTA protein kinase 0.0116 0.6259 0.6259
Echinococcus granulosus NDR protein kinase 0.0011 0.0164 0.0255
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0011 0.0164 0.0255
Entamoeba histolytica protein kinase, putative 0.008 0.4193 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0011 0.0164 0.0255
Loa Loa (eye worm) STE/STE11/MEKK2 protein kinase 0.0009 0.0001 0.0001
Schistosoma mansoni serine/threonine protein kinase 0.008 0.4193 0.4193
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0019 0.0592 0.0921
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0164 0.0164
Echinococcus multilocularis protein kinase c epsilon type 0.0019 0.0592 0.0921
Schistosoma mansoni serine/threonine kinase 0.0011 0.0164 0.0164
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0011 0.0164 0.0255
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0011 0.0164 0.0255
Brugia malayi Protein kinase domain containing protein 0.0011 0.0164 0.0164
Echinococcus multilocularis serine:threonine protein kinase N2 0.0011 0.0164 0.0255
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0011 0.0164 0.0164
Brugia malayi protein kinase C II. 0.0019 0.0592 0.0592
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0592 0.0592
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Schistosoma mansoni serine/threonine protein kinase 0.0179 1 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0011 0.0164 0.0164
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus granulosus protein kinase C gamma type 0.0011 0.0164 0.0255
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0011 0.0164 0.0164
Entamoeba histolytica protein kinase, putative 0.008 0.4193 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0011 0.0164 0.0164
Brugia malayi Protein kinase domain containing protein 0.0009 0.0001 0.0001
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus multilocularis serine threonine protein kinase 0.0011 0.0164 0.0255
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.008 0.4191 0.6525
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0179 1 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.008 0.4191 0.6525
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0164 0.0164
Echinococcus multilocularis protein kinase c iota type 0.0118 0.6423 1
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus granulosus protein kinase c epsilon type 0.0019 0.0592 0.0921
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.008 0.4193 0.6528
Echinococcus granulosus Protein kinase C brain isozyme 0.0019 0.0592 0.0921
Brugia malayi Protein kinase domain containing protein 0.0011 0.0164 0.0164
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0011 0.0164 0.0164
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus granulosus protein kinase c iota type 0.0118 0.6423 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0011 0.0164 0.0164
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0164 0.0164
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0011 0.0164 0.0255
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0011 0.0164 0.0255
Schistosoma mansoni atypical protein kinase C 0.0126 0.6851 0.6851
Schistosoma mansoni serine/threonine protein kinase 0.0011 0.0164 0.0164
Onchocerca volvulus 0.0009 0.0001 0.5
Trichomonas vaginalis AGC family protein kinase 0.0011 0.0164 1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0011 0.0164 0.0255
Trypanosoma brucei rac serine-threonine kinase, putative 0.0011 0.0164 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0592 0.0592
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0011 0.0164 0.0255
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0592 0.0592
Echinococcus granulosus serine:threonine protein kinase Chk2 0.008 0.4193 0.6528
Echinococcus multilocularis serine:threonine protein kinase N2 0.0011 0.0164 0.0255
Brugia malayi Hr1 repeat family protein 0.0011 0.0164 0.0164
Brugia malayi p70 ribosomal S6 kinase beta 0.0011 0.0164 0.0164
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0019 0.0592 0.0592
Brugia malayi protein kinase C3,putative 0.0108 0.5831 0.5831
Loa Loa (eye worm) AGC/NDR protein kinase 0.0011 0.0164 0.0164
Toxoplasma gondii AGC kinase 0.0011 0.0164 0.5
Brugia malayi Protein kinase domain containing protein 0.0011 0.0164 0.0164
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0164

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.7 uM Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kappaB activation by reporter gene assay ChEMBL. 25058929
IC50 (binding) = 3.8 uM Inhibition of human PKCzeta assessed as phosphorylation reaction after 4 mins incubation by cell-free assay ChEMBL. 25058929
Inhibition (binding) = 29.7 % Inhibition of PKCiota (unknown origin) at 20 uM ChEMBL. 25058929
Inhibition (binding) = 95 % Inhibition of PKCzeta in human U937 cells assessed as inhibition of TNFalpha-induced NF-kappaB activation at 5 uM by reporter gene assay ChEMBL. 25058929
Inhibition (binding) = 98.5 % Inhibition of human PKCzeta assessed as phosphorylation reaction at 62.5 uM after 4 mins incubation by cell-free assay ChEMBL. 25058929

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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