Detailed information for compound 1467408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.293 | Formula: C16H13N3O2
  • H donors: 2 H acceptors: 3 LogP: 1.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)c1ccc2c(c1)[nH]c(cc2=O)c1cccnc1
  • InChi: 1S/C16H13N3O2/c1-17-16(21)10-4-5-12-14(7-10)19-13(8-15(12)20)11-3-2-6-18-9-11/h2-9H,1H3,(H,17,21)(H,19,20)
  • InChiKey: RCSSNPHJHDEMOZ-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
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0173 0.0078 0.1145
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0648 0.955
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0173 0.0078 1
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0702 0.0834 0.0831
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0173 0.0078 0.1116
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0173 0.0078 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.0678 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.014 0.003 0.04
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0593 0.0678 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0173 0.0078 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.0574 0.065 0.9583
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0239 0.0172 0.251
Loa Loa (eye worm) phosphatidylinositol 3 0.0121 0.0003 0.0042
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0274 0.0223 0.3253
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0424 0.0436 0.6416
Leishmania major phosphatidylinositol kinase related protein, putative 0.0136 0.0025 0.0061
Entamoeba histolytica hypothetical protein 0.0459 0.0486 0.7159
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0121 0.0003 0.0009
Loa Loa (eye worm) hypothetical protein 0.0218 0.0142 0.1926
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0121 0.0003 0.0009
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0702 0.0834 1
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0173 0.0078 0.0232
Echinococcus multilocularis serine protein kinase ATM 0.0339 0.0315 0.0312
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0593 0.0678 0.1904
Trichomonas vaginalis conserved hypothetical protein 0.0359 0.0344 0.5048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0648 0.955
Trichomonas vaginalis PIKK family atypical protein kinase 0.0203 0.0121 0.1746
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0173 0.0078 0.1116
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.034 0.0317 0.0314
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0593 0.0678 0.8124
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0173 0.0078 0.1116
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0525 0.058 0.8553
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0339 0.0315 0.3754
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.0664 0.98
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0525 0.058 0.8553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.0309 0.4536
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0173 0.0078 0.0075
Loa Loa (eye worm) phosphatidylinositol 3 0.0121 0.0003 0.0042
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0239 0.0172 0.251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0562 0.0634 0.935
Trichomonas vaginalis conserved hypothetical protein 0.0238 0.0171 0.2492
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0648 0.955
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0459 0.0486 0.7159
Loa Loa (eye worm) phosphatidylinositol 3 0.0636 0.074 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.0094 0.1274
Trypanosoma cruzi hypothetical protein, conserved 0.2481 0.3375 1
Onchocerca volvulus 0.0121 0.0003 0.5
Brugia malayi FAT domain containing protein 0.0238 0.0171 0.2386
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0239 0.0172 0.251
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.712 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0525 0.058 0.8553
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0647 0.9549
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0562 0.0634 0.935
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0584 0.0664 0.9801
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0574 0.065 0.9583
Loa Loa (eye worm) phosphatidylinositol 3 0.0593 0.0678 0.9165
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0218 0.0142 0.0422
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0369 0.0357 0.5248
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0238 0.0171 0.0168
Giardia lamblia GTOR 0.0593 0.0678 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0404 0.0408 0.5998
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0136 0.0025 0.0073
Trichomonas vaginalis PIKK family atypical protein kinase 0.0562 0.0634 0.935
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0702 0.0834 0.0831
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0359 0.0344 0.5178
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0647 0.9549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0648 0.955
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0239 0.0172 0.251
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0173 0.0078 0.0213
Loa Loa (eye worm) phosphatidylinositol 3 0.0574 0.065 0.8784
Trichomonas vaginalis PIKK family atypical protein kinase 0.0339 0.0315 0.4621
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0358 0.0342 0.5023
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0593 0.0678 0.2009
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0324 0.0293 0.0869
Schistosoma mansoni hypothetical protein 0.0238 0.0171 0.2025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0343 0.032 0.4702
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0324 0.0293 0.029
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0345 0.0324 0.4752
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0593 0.0678 0.9574
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0593 0.0678 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0239 0.0172 0.2403
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0173 0.0078 0.0232
Toxoplasma gondii target of rapamycin (TOR), putative 0.0581 0.0661 1
Onchocerca volvulus 0.0121 0.0003 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0121 0.1746
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0335 0.0309 0.4536
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0239 0.0172 0.251
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Toxoplasma gondii FATC domain-containing protein 0.0339 0.0315 0.474
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0173 0.0078 0.106
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0339 0.0315 0.4424
Trypanosoma cruzi target of rapamycin kinase 3 0.0584 0.0664 0.1969
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0173 0.0078 0.1116
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0593 0.0678 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0324 0.0293 0.4119
Loa Loa (eye worm) hypothetical protein 0.034 0.0317 0.4281
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0614 0.0708 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0525 0.058 0.8553
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0525 0.058 0.1719
Schistosoma mansoni fkbp-rapamycin associated protein 0.0324 0.0293 0.3495
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0121 0.0003 0.0009
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0239 0.0172 0.2039
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0238 0.0171 0.0168
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0173 0.0078 0.0907
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0614 0.0708 0.2098
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0614 0.0708 0.0705
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0593 0.0678 0.0675
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.0678 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.034 0.0317 0.0314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0343 0.032 0.4702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.0664 0.98
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.0664 0.98
Trichomonas vaginalis PIKK family atypical protein kinase 0.0574 0.0651 0.96
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0584 0.0664 0.1866
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.0664 0.98
Mycobacterium leprae conserved hypothetical protein 0.0121 0.0003 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0584 0.0664 0.98
Leishmania major phosphatidylinositol 3-kinase, putative 0.0173 0.0078 0.0213
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0173 0.0078 0.1116
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0177 0.0084 0.115
Trichomonas vaginalis PIKK family atypical protein kinase 0.0574 0.0651 0.96
Mycobacterium tuberculosis Conserved hypothetical protein 0.0121 0.0003 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.034 0.0317 0.4449
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0593 0.0678 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0173 0.0078 0.1145
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0593 0.0678 0.0675
Loa Loa (eye worm) phosphatidylinositol kinase 0.0121 0.0003 0.0042
Entamoeba histolytica protein kinase rad3, putative 0.0324 0.0293 0.4302
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0424 0.0436 0.6416
Echinococcus granulosus serine protein kinase ATM 0.0339 0.0315 0.0312
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0324 0.0293 0.029
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0525 0.058 0.1719
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0593 0.0678 0.2009
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0614 0.0708 0.0705
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0574 0.065 0.1825
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0239 0.0172 0.251
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0121 0.0003 0.0009
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0173 0.0078 0.0907
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0339 0.0315 0.0933
Leishmania major phosphatidylinositol 3-kinase, putative 0.0562 0.0634 0.178
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0525 0.058 0.8189
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0187 0.0097 0.1394
Trichomonas vaginalis PIKK family atypical protein kinase 0.013 0.0017 0.0199
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0173 0.0078 0.0075
Leishmania major hypothetical protein, conserved 0.2602 0.3547 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0339 0.0315 0.4621
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0173 0.0078 0.0075
Loa Loa (eye worm) hypothetical protein 0.0121 0.0003 0.0042
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0614 0.0708 0.8485
Trichomonas vaginalis PIKK family atypical protein kinase 0.0562 0.0634 0.935
Loa Loa (eye worm) phosphatidylinositol 3 0.0121 0.0003 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.038 0.0374 0.5498
Trichomonas vaginalis PIKK family atypical protein kinase 0.0324 0.0293 0.4302
Loa Loa (eye worm) hypothetical protein 0.0238 0.0171 0.2315
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0239 0.0172 0.0511
Trichomonas vaginalis PIKK family atypical protein kinase 0.0343 0.032 0.4702
Trichomonas vaginalis PIKK family atypical protein kinase 0.0593 0.0678 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0173 0.0078 0.1116
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0173 0.0078 0.1069
Loa Loa (eye worm) hypothetical protein 0.0324 0.0293 0.3966
Trichomonas vaginalis PIKK family atypical protein kinase 0.0562 0.0634 0.935
Trichomonas vaginalis PIKK family atypical protein kinase 0.0572 0.0647 0.9549
Trichomonas vaginalis PIKK family atypical protein kinase 0.0355 0.0337 0.4952
Loa Loa (eye worm) hypothetical protein 0.0359 0.0344 0.4647
Loa Loa (eye worm) phosphatidylinositol 3 0.0121 0.0003 0.0042
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0614 0.0708 0.2098
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0593 0.0678 0.1904
Trichomonas vaginalis PIKK family atypical protein kinase 0.0581 0.0661 0.9749
Entamoeba histolytica hypothetical protein 0.0339 0.0315 0.4621

Activities

No activities found for this compound.

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

No literature references available for this target.

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