Detailed information for compound 1256839

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.345 | Formula: C18H15N5
  • H donors: 0 H acceptors: 3 LogP: 3.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1nc(cn2c1ncc2)c1cccnc1)c1ccccc1
  • InChi: 1S/C18H15N5/c1-22(15-7-3-2-4-8-15)18-17-20-10-11-23(17)13-16(21-18)14-6-5-9-19-12-14/h2-13H,1H3
  • InChiKey: BFRJEUWPBUNLAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 0.0217 0.0243 0.0698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1605 0.3483 1
Echinococcus multilocularis snurportin 1 0.0322 0.0489 0.0445
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.2968 0.6662 0.6647
Echinococcus multilocularis serine protein kinase ATM 0.0217 0.0243 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma cruzi target of rapamycin kinase 3 0.0349 0.0552 0.1583
Echinococcus granulosus geminin 0.0189 0.0179 0.0134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.026 0.0343 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.106 0.2211 0.2176
Echinococcus granulosus snurportin 1 0.0322 0.0489 0.0445
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1605 0.3483 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0349 0.0552 0.1472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0349 0.0552 0.3683
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0349 0.0552 0.0952
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0217 0.0243 0.0298
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.026 0.0343 0.0986
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0576 0.1081 0.1564
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis conserved hypothetical protein 0.0132 0.0046 0.0131
Loa Loa (eye worm) hypothetical protein 0.0236 0.0289 0.0487
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.026 0.0343 0.031
Plasmodium falciparum phosphatidylinositol 3-kinase 0.026 0.0343 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0349 0.0552 0.3683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0576 0.1081 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0576 0.1081 0.3103
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0349 0.0552 0.0765
Entamoeba histolytica hypothetical protein 0.1289 0.2746 0.7724
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0576 0.1081 0.2586
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.1605 0.3483 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.1605 0.3483 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0236 0.0289 0.0544
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.026 0.0343 0.0986
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0349 0.0552 0.1583
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.026 0.0343 0.0299
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0349 0.0552 0.1583
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.1605 0.3483 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0349 0.0552 0.0508
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.1605 0.3483 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.1121 0.2353 0.6754
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.026 0.0343 0.3256
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0322 0.0489 0.0825
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.026 0.0343 0.3256
Leishmania major phosphatidylinositol 3-kinase, putative 0.0349 0.0552 0.0652
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0744 0.1474 0.3799
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0349 0.0552 0.0508
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0349 0.0552 0.0952
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Trypanosoma cruzi hypothetical protein, conserved 0.1522 0.3289 0.9444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0217 0.0243 0.0198
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0576 0.1081 0.2586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Loa Loa (eye worm) hypothetical protein 0.0545 0.1009 0.1703
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0576 0.1081 0.3103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0349 0.0552 0.0765
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Trichomonas vaginalis conserved hypothetical protein 0.0236 0.0289 0.0829
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0349 0.0552 0.3683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0349 0.0552 0.0652
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0805 0.1615 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.2968 0.6662 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0217 0.0243 0.0698
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.1362 0.2917 0.8352
Loa Loa (eye worm) hypothetical protein 0.0217 0.0243 0.041
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0349 0.0552 0.3683
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0472 0.0838 0.2405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0349 0.0552 0.1583
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4398 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0236 0.0289 0.1478
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.026 0.0343 0.0986
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.026 0.0343 0.0299
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.1121 0.2353 0.6754
Loa Loa (eye worm) phosphatidylinositol 3 0.0349 0.0552 0.0931
Echinococcus multilocularis geminin 0.0189 0.0179 0.0134
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0349 0.0552 0.1583
Loa Loa (eye worm) phosphatidylinositol 3 0.0472 0.0838 0.1414
Echinococcus multilocularis Zinc finger, PHD finger 0.026 0.0343 0.0299
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.026 0.0343 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0217 0.0243 0.0198
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0576 0.1081 0.3103
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.026 0.0343 0.045
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.1501 0.324 0.925
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.026 0.0343 0.1199
Loa Loa (eye worm) phosphatidylinositol 3 0.0349 0.0552 0.0931
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.106 0.2211 0.63
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0217 0.0243 0.0574
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.026 0.0343 0.0867
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0349 0.0552 0.1472
Loa Loa (eye worm) hypothetical protein 0.106 0.2211 0.3732
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Loa Loa (eye worm) hypothetical protein 0.0132 0.0046 0.0077
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0217 0.0243 0.0698
Toxoplasma gondii target of rapamycin (TOR), putative 0.0349 0.0552 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0349 0.0552 0.3683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Schistosoma mansoni fkbp-rapamycin associated protein 0.0217 0.0243 0.0298
Loa Loa (eye worm) phosphatidylinositol 3 0.2652 0.5925 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0217 0.0243 0.0574
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.026 0.0343 0.0986
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0576 0.1081 0.3011
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0349 0.0552 0.0652
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0349 0.0552 0.0652
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.026 0.0343 0.0986
Schistosoma mansoni phosphatidylinositol 4-kinase 0.026 0.0343 0.045
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.106 0.2211 0.2176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Schistosoma mansoni hypothetical protein 0.0189 0.0179 0.0201
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1289 0.2746 0.7724
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Echinococcus granulosus serine protein kinase ATM 0.0217 0.0243 0.0198
Leishmania major hypothetical protein, conserved 0.1626 0.3532 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0217 0.0243 0.0698
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.2968 0.6662 0.6647
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.1605 0.3483 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0349 0.0552 0.0652
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Trichomonas vaginalis PIKK family atypical protein kinase 0.0236 0.0289 0.0829
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.026 0.0343 0.031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0349 0.0552 0.1583
Schistosoma mansoni hypothetical protein 0.0322 0.0489 0.067
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0349 0.0552 0.0508
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.026 0.0343 0.058
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0576 0.1081 0.3103
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.042 0.0717 0.1559
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0349 0.0552 0.0508
Schistosoma mansoni hypothetical protein 0.0189 0.0179 0.0201

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 27 % Inhibition of human aurora A at 10 uM ChEMBL. 20833547

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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