Detailed information for compound 1724384

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 298.318 | Formula: C15H15FN6
  • H donors: 2 H acceptors: 3 LogP: 1.35 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(nc1c1n[nH]c2c1cccn2)N1CCNCC1
  • InChi: 1S/C15H15FN6/c16-11-3-4-12(22-8-6-17-7-9-22)19-14(11)13-10-2-1-5-18-15(10)21-20-13/h1-5,17H,6-9H2,(H,18,20,21)
  • InChiKey: AFICENYJQYURCA-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 protein kinase C, delta Starlite/ChEMBL References
Homo sapiens protein kinase C, alpha Starlite/ChEMBL References
Homo sapiens protein kinase C, theta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Protein kinase C gamma type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis Protein kinase C, brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Brugia malayi Protein kinase c protein 2 Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Onchocerca volvulus Get druggable targets OG5_132502 All targets in OG5_132502
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum IPR000477,RNA-directed DNA polymerase (Reverse transcriptase),domain-containing Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132502 All targets in OG5_132502
Schistosoma japonicum Protein kinase C alpha type, putative Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Calcium-dependent protein kinase C, putative Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis serine threonine protein kinase Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus Protein kinase C brain isozyme Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis telomerase reverse transcriptase subunit Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus protein kinase C gamma type Get druggable targets OG5_129482 All targets in OG5_129482

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
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0776 0.2648 0.2523
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0604 0.202 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0604 0.202 1
Loa Loa (eye worm) hypothetical protein 0.0333 0.1033 0.5117
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0063 0.0048 0.024
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.1343 0.4715 0.4625
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1066 0.3706 1
Echinococcus multilocularis protein kinase c epsilon type 0.0063 0.0048 0.0028
Brugia malayi DNA topoisomerase III 0.0096 0.0168 0.0607
Loa Loa (eye worm) hypothetical protein 0.0333 0.1033 0.5117
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0096 0.0168 0.0633
Plasmodium vivax DNA topoisomerase II, putative 0.0604 0.202 0.1883
Brugia malayi Probable DNA topoisomerase II 0.0604 0.202 1
Loa Loa (eye worm) hypothetical protein 0.029 0.0875 0.4334
Chlamydia trachomatis DNA gyrase subunit B 0.0881 0.3029 0.291
Leishmania major DNA topoisomerase ii 0.0508 0.167 0.4244
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.1343 0.4715 0.4625
Loa Loa (eye worm) hypothetical protein 0.0369 0.1165 0.5769
Entamoeba histolytica DNA topoisomerase II, putative 0.0604 0.202 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0612 0.3032
Giardia lamblia DNA topoisomerase II 0.0562 0.1866 1
Schistosoma mansoni prokaryotic DNA topoisomerase 0.0096 0.0168 0.0633
Brugia malayi GRF zinc finger family protein 0.0096 0.0168 0.0607
Echinococcus multilocularis serine threonine protein kinase 0.0085 0.0129 0.0435
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0604 0.202 1
Echinococcus granulosus protein kinase c epsilon type 0.0063 0.0048 0.0028
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.0222 0.0906
Trypanosoma cruzi DNA topoisomerase II, putative 0.0508 0.167 0.4244
Schistosoma mansoni DNA topoisomerase II 0.0604 0.202 1
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.1331 0.4672 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0604 0.202 1
Trypanosoma brucei DNA topoisomerase ii 0.1066 0.3706 1
Toxoplasma gondii DNA topoisomerase 2, putative 0.0604 0.202 0.1883
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0604 0.202 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0604 0.202 1
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.0096 0.0168 0.0633
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0111 0.0222 0.0906
Mycobacterium ulcerans DNA gyrase subunit B 0.1343 0.4715 0.4625
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.0096 0.0168 0.0633
Loa Loa (eye worm) DNA topoisomerase III 0.0096 0.0168 0.0832
Plasmodium falciparum DNA gyrase subunit B 0.1343 0.4715 0.4625
Brugia malayi DNA topoisomerase III beta-1 0.0096 0.0168 0.0607
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0604 0.202 1
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0462 0.1504 0.2966
Onchocerca volvulus 0.0333 0.1033 0.4674
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.0222 0.0906
Echinococcus multilocularis rho GTPase activating protein 20 0.0096 0.0168 0.0633
Trichomonas vaginalis DNA topoisomerase II, putative 0.0604 0.202 1
Loa Loa (eye worm) hypothetical protein 0.0359 0.1127 0.5578
Echinococcus granulosus DNA topoisomerase 3 alpha 0.0096 0.0168 0.0633
Plasmodium vivax DNA gyrase subunit B, putative 0.1343 0.4715 0.4625
Loa Loa (eye worm) TOPoisomerase family member 0.0604 0.202 1
Loa Loa (eye worm) hypothetical protein 0.0333 0.1033 0.5117
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0508 0.167 0.4244
Echinococcus granulosus protein kinase C gamma type 0.0085 0.0129 0.0435
Echinococcus granulosus Protein kinase C brain isozyme 0.0111 0.0222 0.0906
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.1066 0.3706 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0508 0.167 0.4244
Brugia malayi Protein kinase c protein 2 0.0075 0.0093 0.0227
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.0096 0.0168 0.0832
Plasmodium falciparum DNA topoisomerase 2 0.0604 0.202 0.1883
Loa Loa (eye worm) hypothetical protein 0.0073 0.0085 0.042
Loa Loa (eye worm) hypothetical protein 0.029 0.0875 0.4334
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.0048 0.0028
Chlamydia trachomatis DNA gyrase subunit A 0.029 0.0875 0.0719
Chlamydia trachomatis DNA gyrase subunit B 0.1343 0.4715 0.4625
Loa Loa (eye worm) hypothetical protein 0.0218 0.0612 0.3032
Leishmania major mitochondrial DNA topoisomerase II 0.1066 0.3706 1
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0508 0.167 0.4244

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 60 nM Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis in presence of [gamma-33P]ATP ChEMBL. 23398373
Ki (binding) = 722 nM Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP ChEMBL. 23398373
Ki (binding) > 1250 nM Inhibition of PKC alpha (unknown origin) using RRRRRKGSFKRKA as substrate after 15 mins by spectrophotometry in presence of ATP ChEMBL. 23398373

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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