Detailed information for compound 324209

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.462 | Formula: C23H24N4O2
  • H donors: 2 H acceptors: 2 LogP: 3.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCn1cc(c2c1cccc2)C1=C(Nc2ccccc2)C(=O)NC1=O)C
  • InChi: 1S/C23H24N4O2/c1-26(2)13-8-14-27-15-18(17-11-6-7-12-19(17)27)20-21(23(29)25-22(20)28)24-16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3,(H2,24,25,28,29)
  • InChiKey: AINIRABQPWWMRI-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, beta Starlite/ChEMBL References
Homo sapiens protein kinase C, epsilon Starlite/ChEMBL References
Homo sapiens protein kinase C, alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus serine:threonine protein kinase N2 Get druggable targets OG5_129314 All targets in OG5_129314
Brugia malayi Protein kinase c protein 2 Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_129314 All targets in OG5_129314
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) Get druggable targets OG5_129482 All targets in OG5_129482
Loa Loa (eye worm) AGC/PKC/ETA protein kinase Get druggable targets OG5_129314 All targets in OG5_129314
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus granulosus protein kinase c epsilon type Get druggable targets OG5_129314 All targets in OG5_129314
Echinococcus granulosus RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Entamoeba histolytica PH domain containing protein kinase, putative Get druggable targets OG5_129314 All targets in OG5_129314
Schistosoma mansoni serine/threonine 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
Schistosoma japonicum Protein kinase C alpha type, putative 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 multilocularis serine:threonine protein kinase N2 Get druggable targets OG5_129314 All targets in OG5_129314
Schistosoma japonicum Protein kinase C epsilon type, putative Get druggable targets OG5_129314 All targets in OG5_129314
Echinococcus multilocularis serine threonine protein kinase 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
Schistosoma japonicum ko:K06068 novel protein kinase C, putative Get druggable targets OG5_129314 All targets in OG5_129314
Echinococcus granulosus protein kinase C gamma type Get druggable targets OG5_129482 All targets in OG5_129482
Echinococcus multilocularis protein kinase c epsilon type Get druggable targets OG5_129314 All targets in OG5_129314
Schistosoma mansoni serine/threonine protein kinase 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
Schistosoma japonicum Calcium-dependent protein kinase C, putative Get druggable targets OG5_129482 All targets in OG5_129482
Brugia malayi protein kinase C II. Get druggable targets OG5_129314 All targets in OG5_129314
Loa Loa (eye worm) AGC/PKC/ALPHA 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
Echinococcus multilocularis Protein kinase C, brain isozyme 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 multilocularis RNA directed DNA polymerase Get druggable targets OG5_129482 All targets in OG5_129482
Schistosoma japonicum Protein kinase C gamma type, putative 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
Echinococcus granulosus protein kinase C gamma type 0.0133 0.1853 0.1853
Onchocerca volvulus Dual oxidase homolog 0.0205 0.3493 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0103 0.116 0.116
Echinococcus granulosus RNA directed DNA polymerase 0.0095 0.0979 0.0979
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Onchocerca volvulus 0.0205 0.3493 1
Brugia malayi Protein kinase c protein 2 0.0132 0.1828 0.1828
Loa Loa (eye worm) hypothetical protein 0.0124 0.1648 0.1648
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0119 0.1522 0.1522
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0226 0.3974 0.3974
Echinococcus multilocularis mitogen activated protein kinase 14 0.0489 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0205 0.3493 0.3493
Echinococcus multilocularis serine:threonine protein kinase N2 0.0117 0.1477 0.1477
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0489 1 1
Brugia malayi Blistered cuticle protein 3 0.0205 0.3493 0.3493
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0489 1 0.5
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0226 0.3974 0.3974
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Echinococcus multilocularis protein kinase c epsilon type 0.0151 0.225 0.225
Schistosoma mansoni serine/threonine protein kinase 0.0151 0.225 0.5483
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0489 1 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0151 0.225 0.225
Onchocerca volvulus 0.0205 0.3493 1
Onchocerca volvulus Peroxidasin homolog 0.0205 0.3493 1
Brugia malayi hypothetical protein 0.0205 0.3493 0.3493
Schistosoma mansoni serine/threonine protein kinase 0.0163 0.2522 0.6148
Schistosoma mansoni peroxidasin 0.0205 0.3493 0.8514
Echinococcus granulosus protein kinase c epsilon type 0.0151 0.225 0.225
Echinococcus granulosus protein kinase c iota type 0.0063 0.0238 0.0238
Brugia malayi Animal haem peroxidase family protein 0.0205 0.3493 0.3493
Echinococcus multilocularis raf serine:threonine protein kinase 0.0232 0.4102 0.4102
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0163 0.2522 0.2522
Schistosoma mansoni peroxidasin 0.0205 0.3493 0.8514
Brugia malayi Animal haem peroxidase family protein 0.0205 0.3493 0.3493
Echinococcus multilocularis mitogen activated protein kinase 11 0.0489 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0087 0.0783 0.0783
Brugia malayi Peroxidasin 0.0205 0.3493 0.3493
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Echinococcus multilocularis RNA directed DNA polymerase 0.0095 0.0979 0.0979
Brugia malayi protein kinase C II. 0.0151 0.225 0.225
Loa Loa (eye worm) animal heme peroxidase 0.0205 0.3493 0.3493
Echinococcus granulosus raf serine:threonine protein kinase 0.0232 0.4102 0.4102
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Brugia malayi Animal haem peroxidase family protein 0.0205 0.3493 0.3493
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0095 0.0979 0.0979
Loa Loa (eye worm) animal heme peroxidase 0.0205 0.3493 0.3493
Onchocerca volvulus Chorion peroxidase homolog 0.0205 0.3493 1
Brugia malayi Animal haem peroxidase family protein 0.0205 0.3493 0.3493
Echinococcus granulosus mitogen activated protein kinase 11 0.0489 1 1
Toxoplasma gondii EGF family domain-containing protein 0.0052 0 0.5
Echinococcus multilocularis mitogen activated protein kinase 14 0.0489 1 1
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0489 1 0.5
Onchocerca volvulus Peroxidase homolog 0.0205 0.3493 1
Onchocerca volvulus Peroxidasin homolog 0.0205 0.3493 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Brugia malayi Stress-activated protein kinase jnk-1 0.0226 0.3974 0.3974
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Giardia lamblia High cysteine protein 0.0052 0 0.5
Echinococcus multilocularis peroxidasin 0.0205 0.3493 0.3493
Loa Loa (eye worm) raf kinase 0.0231 0.4079 0.4079
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0489 1 0.5
Echinococcus multilocularis protein kinase c iota type 0.0063 0.0238 0.0238
Schistosoma mansoni serine/threonine protein kinase 0.0163 0.2522 0.6148
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Schistosoma mansoni serine/threonine protein kinase 0.0232 0.4102 1
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Onchocerca volvulus Peroxidase homolog 0.0205 0.3493 1
Echinococcus granulosus c-Jun N-terminal kinases 0.0226 0.3974 0.3974
Schistosoma mansoni serine/threonine protein kinase 0.0226 0.3974 0.9688
Brugia malayi Animal haem peroxidase family protein 0.0205 0.3493 0.3493
Loa Loa (eye worm) hypothetical protein 0.0095 0.0979 0.0979
Echinococcus granulosus peroxidasin 0.0205 0.3493 0.3493
Entamoeba histolytica PH domain containing protein kinase, putative 0.0087 0.0783 0.5
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Echinococcus granulosus Protein kinase C brain isozyme 0.0163 0.2522 0.2522
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Brugia malayi Raf kinase 0.0202 0.3434 0.3434
Echinococcus granulosus mitogen activated protein kinase 14 0.0489 1 1
Echinococcus multilocularis serine threonine protein kinase 0.0133 0.1853 0.1853
Loa Loa (eye worm) hypothetical protein 0.0205 0.3493 0.3493
Schistosoma mansoni atypical protein kinase C 0.0063 0.0238 0.058
Onchocerca volvulus 0.0205 0.3493 1
Echinococcus multilocularis mitogen activated protein kinase 11 0.0489 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0205 0.3493 0.3493
Loa Loa (eye worm) animal heme peroxidase 0.0205 0.3493 0.3493

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.92 Inhibition of PKCbeta2 (unknown origin) ChEMBL. No reference
IC50 (binding) = 12 nM Inhibitory concentration against recombinant human Protein kinase C beta 2 ChEMBL. 15380221
IC50 (binding) = 12 nM Inhibitory concentration against recombinant human Protein kinase C beta 2 ChEMBL. 15380221
IC50 (binding) = 12 nM Inhibition of PKCbeta2 (unknown origin) ChEMBL. No reference
IC50 (binding) = 460 nM Inhibitory concentration against recombinant human Protein kinase C alpha ChEMBL. 15380221
IC50 (binding) = 460 nM Inhibitory concentration against recombinant human Protein kinase C alpha ChEMBL. 15380221
IC50 (binding) = 3456 nM Inhibitory concentration against recombinant human Protein kinase C epsilon ChEMBL. 15380221
IC50 (binding) = 3456 nM Inhibitory concentration against recombinant human Protein kinase C epsilon ChEMBL. 15380221

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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