Detailed information for compound 1720365

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.472 | Formula: C25H21FN6O2
  • H donors: 2 H acceptors: 4 LogP: 2.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nc2ccc(cc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2)F
  • InChi: 1S/C25H21FN6O2/c1-31-8-10-32(11-9-31)25-28-19-7-6-14(26)12-16(19)22(29-25)21-20(23(33)30-24(21)34)17-13-27-18-5-3-2-4-15(17)18/h2-7,12-13,27H,8-11H2,1H3,(H,30,33,34)
  • InChiKey: UZCZCOMLMMSRLY-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, eta Starlite/ChEMBL References
Homo sapiens protein kinase C, alpha Starlite/ChEMBL References
Homo sapiens protein kinase C, delta Starlite/ChEMBL References
Homo sapiens protein kinase C, theta Starlite/ChEMBL References
Homo sapiens protein kinase C, epsilon Starlite/ChEMBL References
Homo sapiens protein kinase C, beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis serine threonine protein kinase 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
Loa Loa (eye worm) hypothetical protein 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
Echinococcus granulosus protein kinase C gamma type 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
Brugia malayi Protein kinase c protein 2 Get druggable targets OG5_129482 All targets in OG5_129482
Onchocerca volvulus 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
Echinococcus granulosus RNA directed DNA polymerase 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 N2 Get druggable targets OG5_129314 All targets in OG5_129314
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
Echinococcus multilocularis protein kinase c epsilon type Get druggable targets OG5_129314 All targets in OG5_129314
Echinococcus granulosus 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
Schistosoma japonicum Protein kinase C alpha type, putative 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
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 multilocularis telomerase reverse transcriptase subunit 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
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
Echinococcus multilocularis RNA directed DNA polymerase 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
Candida albicans protein kinase C similar to S. cerevisiae PKC1 (YBL105C) 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
Echinococcus multilocularis Protein kinase C, brain isozyme 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
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) CMGC/MAPK/JNK protein kinase 0.0252 0.5537 0.5537
Loa Loa (eye worm) hypothetical protein 0.0105 0.1124 0.1124
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0127 0.0192
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1124 0.1701
Onchocerca volvulus 0.0333 0.7972 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0216 0.4462 0.6756
Echinococcus multilocularis RNA directed DNA polymerase 0.0095 0.0829 0.1255
Schistosoma mansoni atypical protein kinase C 0.0115 0.1423 0.2155
Loa Loa (eye worm) hypothetical protein 0.0143 0.2252 0.2252
Schistosoma mansoni serine/threonine protein kinase 0.0216 0.4462 0.6756
Entamoeba histolytica PH domain containing protein kinase, putative 0.0169 0.303 1
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1445 0.1445
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Echinococcus multilocularis serine threonine protein kinase 0.0169 0.3039 0.4601
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0095 0.0829 0.1255
Echinococcus granulosus RNA directed DNA polymerase 0.0095 0.0829 0.1255
Brugia malayi Stress-activated protein kinase jnk-1 0.0252 0.5537 0.8382
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1124 0.1124
Echinococcus multilocularis serine:threonine protein kinase N2 0.0234 0.5 0.757
Loa Loa (eye worm) hypothetical protein 0.0381 0.9395 0.9395
Loa Loa (eye worm) hypothetical protein 0.0095 0.0829 0.0829
Toxoplasma gondii AGC kinase 0.0068 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Echinococcus granulosus Protein kinase C brain isozyme 0.0216 0.4462 0.6756
Loa Loa (eye worm) hypothetical protein 0.0333 0.7972 0.7972
Echinococcus granulosus protein kinase c epsilon type 0.0288 0.6605 1
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0103 0.1069 0.1069
Trypanosoma brucei rac serine-threonine kinase, putative 0.0068 0 0.5
Echinococcus granulosus serine:threonine protein kinase N2 0.0169 0.303 0.4588
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Brugia malayi Protein kinase c protein 2 0.0151 0.2493 0.3774
Loa Loa (eye worm) hypothetical protein 0.0072 0.0127 0.0127
Brugia malayi protein kinase C II. 0.0288 0.6605 1
Echinococcus granulosus protein kinase C gamma type 0.0169 0.3039 0.4601
Brugia malayi MH2 domain containing protein 0.0116 0.1445 0.2188
Schistosoma mansoni serine/threonine protein kinase 0.0252 0.5537 0.8382
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1445 0.1445
Schistosoma mansoni hypothetical protein 0.0072 0.0127 0.0192
Loa Loa (eye worm) hypothetical protein 0.0333 0.7972 0.7972
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0252 0.5537 0.8382
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0333 0.7972 0.7972
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0288 0.6605 1
Echinococcus multilocularis protein kinase c epsilon type 0.0288 0.6605 1
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1124 0.1701
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0288 0.6605 0.6605
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Echinococcus granulosus protein kinase c iota type 0.0115 0.1423 0.2155
Echinococcus granulosus c-Jun N-terminal kinases 0.0252 0.5537 0.8382
Trichomonas vaginalis AGC family protein kinase 0.0068 0 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0216 0.4462 0.6756
Echinococcus multilocularis protein kinase c iota type 0.0115 0.1423 0.2155

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.6 nM Inhibition of PKCdelta by scintillation proximity assay ChEMBL. 21797275
IC50 (binding) = 0.6 nM Inhibition of PKCtheta by scintillation proximity assay ChEMBL. 21797275
IC50 (binding) = 1 nM Inhibition of PKCalpha by scintillation proximity assay ChEMBL. 21797275
IC50 (binding) = 1.2 nM Inhibition of PKCbeta-1 by scintillation proximity assay ChEMBL. 21797275
IC50 (binding) = 1.9 nM Inhibition of PKCeta by scintillation proximity assay ChEMBL. 21797275
IC50 (binding) = 2 nM Inhibition of PKCepsilon by scintillation proximity assay ChEMBL. 21797275

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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