Detailed information for compound 1526825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 333.344 | Formula: C18H15N5O2
  • H donors: 3 H acceptors: 4 LogP: 1.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc(cnc1N)c1ccc(cc1)C(=O)N)Nc1ccccc1
  • InChi: 1S/C18H15N5O2/c19-16-15(18(25)22-13-4-2-1-3-5-13)23-14(10-21-16)11-6-8-12(9-7-11)17(20)24/h1-10H,(H2,19,21)(H2,20,24)(H,22,25)
  • InChiKey: FCCPDQKWEDPACW-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 ATM serine/threonine kinase Starlite/ChEMBL References
Homo sapiens ATR serine/threonine kinase Starlite/ChEMBL References
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
Candida albicans potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Cryptosporidium parvum FRP1 like protein involved in DNA repair with a FAT domain and a phosphatidylinositol kinase domain at the C-terminus Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum Serine/threonine-protein kinase atr, putative Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania braziliensis phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma brucei gambiense phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Babesia bovis phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128386 All targets in OG5_128386
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium hominis ataxia telangiectasia and Rad3-related protein Get druggable targets OG5_128386 All targets in OG5_128386
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase Get druggable targets OG5_128386 All targets in OG5_128386
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K06640 ataxia telangiectasia and Rad3 related, putative Get druggable targets OG5_128386 All targets in OG5_128386
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family Get druggable targets OG5_128386 All targets in OG5_128386
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128386 All targets in OG5_128386
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania infantum phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase Get druggable targets OG5_128386 All targets in OG5_128386
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128386 All targets in OG5_128386
Echinococcus granulosus DNA dependent protein kinase catalytic subunit Get druggable targets OG5_132688 All targets in OG5_132688
Schistosoma japonicum Serine/threonine-protein kinase ATR, putative Get druggable targets OG5_128386 All targets in OG5_128386
Leishmania mexicana phosphatidylinositol 3-related kinase, putative Get druggable targets OG5_128386 All targets in OG5_128386
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128386 All targets in OG5_128386

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0066 0.0867 0.2789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0066 0.0867 0.6526
Toxoplasma gondii target of rapamycin (TOR), putative 0.0066 0.0867 1
Leishmania major hypothetical protein, conserved 0.0122 0.2888 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0066 0.0867 0.6526
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0066 0.0867 0.0407
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0066 0.0867 0.2789
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0055 0.0479 0.1497
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0066 0.0867 0.6526
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0066 0.0867 1
Entamoeba histolytica hypothetical protein 0.0055 0.0479 0.3025
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0066 0.0867 0.152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0126 0.3031 0.268
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0322 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0055 0.0479 0.3608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Loa Loa (eye worm) phosphatidylinositol 3 0.0066 0.0867 0.6526
Loa Loa (eye worm) hypothetical protein 0.0042 0.003 0.0229
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0126 0.3031 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0078 0.1329 0.2284
Trichomonas vaginalis PIKK family atypical protein kinase 0.005 0.0311 0.2342
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Toxoplasma gondii FATC domain-containing protein 0.0055 0.0479 0.5528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0066 0.0867 0.152
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0066 0.0867 0.0407
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0126 0.3031 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0078 0.1329 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0126 0.3031 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0066 0.0867 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0078 0.1329 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0078 0.1329 1
Giardia lamblia GTOR 0.0066 0.0867 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0126 0.3031 0.268
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.2439 0.8027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0055 0.0479 0.3608
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0126 0.3031 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0066 0.0867 0.2789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0066 0.0867 0.6526

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.11 uM Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate incorporation assay ChEMBL. 21413798
IC50 (binding) = 1.2 uM Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay ChEMBL. 21413798
IC50 (binding) = 2.9 uM Inhibition of full length recombinant ATM after 24 hrs by radiometric phosphate incorporation assay ChEMBL. 21413798

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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