Detailed information for compound 1192900

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.434 | Formula: C19H26N4O4
  • H donors: 0 H acceptors: 1 LogP: 0.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)CCOc1cccc2c1oc(nc2=O)N1CCOCC1
  • InChi: 1S/C19H26N4O4/c1-21-5-7-22(8-6-21)9-14-26-16-4-2-3-15-17(16)27-19(20-18(15)24)23-10-12-25-13-11-23/h2-4H,5-14H2,1H3
  • InChiKey: VHZNVVHHKBDNAR-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, DNA-activated, catalytic polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
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) hypothetical protein 0.0149 0.3988 0.6624
Echinococcus granulosus muscleblind protein 0.0149 0.3988 0.3988
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0022 0.0279 0.0595
Loa Loa (eye worm) hypothetical protein 0.0017 0.0123 0.0204
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0279 0.0978
Brugia malayi Pre-SET motif family protein 0.0031 0.0555 0.0921
Leishmania major phosphatidylinositol 3-kinase, putative 0.0022 0.0279 0.0595
Loa Loa (eye worm) hypothetical protein 0.0014 0.0041 0.0068
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0279 0.0279
Entamoeba histolytica hypothetical protein 0.0038 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.3988 0.6624
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.1202 0.3818
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1202 0.1741
Schistosoma mansoni bromodomain containing protein 0.0066 0.158 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Brugia malayi MAP kinase sur-1 0.0053 0.1202 0.1996
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.1202 0.1996
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0123 0.0204
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.1078 0.6822
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0022 0.0279 0.3754
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0022 0.0279 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0014 0.0041 0.006
Leishmania major hypothetical protein, conserved 0.0114 0.2972 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0123 0.0123
Schistosoma mansoni zinc finger protein 0.0021 0.024 0.1517
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.1202 0.1202
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1168 0.194
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0123 0.0204
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.1202 0.3818
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.1202 1
Brugia malayi hypothetical protein 0.0038 0.0743 0.1233
Echinococcus multilocularis muscleblind protein 0.0149 0.3988 0.3988
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.147 0.147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0279 0.0463
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0555 0.4616
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0779
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0313 0.8816 0.8816
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0123 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Entamoeba histolytica hypothetical protein 0.0038 0.0743 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0684 0.1137
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0272 0.0452
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0162 0.1027
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0279 0.1765
Echinococcus granulosus histone lysine methyltransferase setb 0.0049 0.1078 0.1078
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0041 0.006
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0014 0.0041 0.0343
Trypanosoma brucei ISWI complex protein 0.0016 0.0109 0.0903
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0022 0.0279 0.3754
Schistosoma mansoni hypothetical protein 0.0038 0.0743 0.4701
Brugia malayi Muscleblind-like protein 0.0149 0.3988 0.6624
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0022 0.0279 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.1202 0.1202
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0162 0.0162
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0279 0.0463
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0022 0.0279 0.0978
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0521 0.0521
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.1202 1
Onchocerca volvulus 0.0052 0.1156 0.0947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trypanosoma cruzi ISWI complex protein 0.0016 0.0109 0.0381
Echinococcus multilocularis muscleblind protein 1 0.0149 0.3988 0.3988
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1168 0.194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0743 0.0743
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0331 0.0331
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0741 0.0741
Schistosoma mansoni zinc finger protein 0.0016 0.0109 0.0687
Schistosoma mansoni hypothetical protein 0.0022 0.0272 0.1722
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0022 0.0279 0.0595
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0123 0.0123
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1202 0.7608
Loa Loa (eye worm) hypothetical protein 0.0052 0.1168 0.194
Echinococcus multilocularis zinc finger protein 0.0021 0.024 0.024
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0162 0.1027
Echinococcus granulosus GPCR family 2 0.0017 0.0123 0.0123
Loa Loa (eye worm) hypothetical protein 0.0074 0.1808 0.3003
Brugia malayi Bromodomain containing protein 0.004 0.0814 0.1352
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.6021 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0279 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Loa Loa (eye worm) hypothetical protein 0.0052 0.1156 0.192
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1202 0.1741
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0779
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0331 0.0331
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0741 0.0741
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0022 0.0279 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trypanosoma cruzi ISWI complex protein 0.0016 0.0109 0.0381
Onchocerca volvulus 0.0248 0.6903 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.1202 0.1202
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.1202 0.4218
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0779
Plasmodium vivax SET domain protein, putative 0.0031 0.0555 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0555 0.3512
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0014 0.0041 0.0343
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0279 0.0463
Entamoeba histolytica hypothetical protein 0.0038 0.0743 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0016 0.0109 0.0687
Schistosoma mansoni hypothetical protein 0.0036 0.0684 0.4332
Trypanosoma brucei protein kinase, putative 0.0053 0.1202 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1202 0.1741
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0743 0.0743
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0162 0.0162
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0313 0.8816 0.8816
Brugia malayi Pre-SET motif family protein 0.0218 0.6021 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0555 0.3512
Loa Loa (eye worm) hypothetical protein 0.004 0.0816 0.1355
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0022 0.0279 0.0595
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Brugia malayi Bromodomain containing protein 0.0079 0.1939 0.3221
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0022 0.0279 0.232
Brugia malayi PHD-finger family protein 0.0026 0.0403 0.067
Entamoeba histolytica hypothetical protein 0.0038 0.0743 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1202 0.4218
Loa Loa (eye worm) hypothetical protein 0.0043 0.0889 0.1476
Loa Loa (eye worm) hypothetical protein 0.0049 0.1078 0.179
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0684 0.1137
Echinococcus multilocularis tumor protein p63 0.0354 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0022 0.0279 0.232
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0123 0.0204
Trypanosoma cruzi target of rapamycin kinase 3 0.0022 0.0279 0.0978
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0049 0.1078 0.6822
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus granulosus zinc finger protein 0.0021 0.024 0.024
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0049 0.1078 0.1078
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0022 0.0279 0.0978
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0331 0.2093
Loa Loa (eye worm) hypothetical protein 0.0045 0.0947 0.1573
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0123 0.0123
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.1202 0.1741
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0555 0.0555
Trichomonas vaginalis set domain proteins, putative 0.0248 0.6903 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0743 0.4701
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0022 0.0279 0.0595
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.1202 1
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.2849 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0022 0.0279 0.232
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1168 0.194
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0279 0.0279
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.1202 0.1202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0279 0.0279
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0279 0.1765
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.147 0.147
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Schistosoma mansoni hypothetical protein 0.0017 0.0123 0.0779
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0181 0.0301
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.1202 0.4218
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0022 0.0279 0.0978
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0279 0.0463
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.1156 0.7317
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.1202 0.4218
Schistosoma mansoni fkbp-rapamycin associated protein 0.0012 0.000000038339 0.00000024269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0022 0.0279 0.0404

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.7 uM Inhibition of DNA-PK using EPPLSQEAFADLWKK as substrate after 5 mins by ADP-Glo kinase assay ChEMBL. 23059543

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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