Detailed information for compound 982666

Basic information

Technical information
  • TDR Targets ID: 982666
  • Name: 1,1,5,10-tetraoxo-3,4-dihydro-2H-[1,4]thiazin o[2,3-g]quinoline-7-carbonitrile
  • MW: 289.267 | Formula: C12H7N3O4S
  • H donors: 1 H acceptors: 6 LogP: 0.18 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc2c(n1)C(=O)C1=C(C2=O)S(=O)(=O)CCN1
  • InChi: 1S/C12H7N3O4S/c13-5-6-1-2-7-8(15-6)11(17)9-12(10(7)16)20(18,19)4-3-14-9/h1-2,14H,3-4H2
  • InChiKey: OQRNXCIQTNBAMJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1,1,5,10-tetraketo-3,4-dihydro-2H-[1,4]thiazino[2,3-g]quinoline-7-carbonitrile

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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0471 0.0867 0.2789
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0907 0.3031 0.2999
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0907 0.3031 1
Toxoplasma gondii FATC domain-containing protein 0.0393 0.0479 0.1569
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0348 0.0257 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0471 0.0867 0.6526
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0564 0.1329 1
Leishmania major hypothetical protein, conserved 0.0879 0.2888 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0471 0.0867 0.0825
Brugia malayi Protein kinase domain containing protein 0.0348 0.0257 0.0705
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0348 0.0257 0.0212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0907 0.3031 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Loa Loa (eye worm) hypothetical protein 0.0302 0.003 0.0229
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0471 0.0867 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0471 0.0867 0.2751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Entamoeba histolytica hypothetical protein 0.0393 0.0479 0.3025
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0348 0.0257 0.1933
Trypanosoma cruzi target of rapamycin kinase 3 0.0471 0.0867 0.2789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Echinococcus granulosus serine protein kinase ATM 0.0393 0.0479 0.0435
Loa Loa (eye worm) phosphatidylinositol 3 0.0564 0.1329 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0348 0.0257 0.0705
Giardia lamblia GTOR 0.0471 0.0867 1
Schistosoma mansoni serine/threonine protein kinase 0.0348 0.0257 0.0705
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0907 0.3031 0.2999
Toxoplasma gondii protein kinase, putative 0.0912 0.3056 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0393 0.0479 0.1451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trypanosoma cruzi hypothetical protein, conserved 0.0788 0.2439 0.8027
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0471 0.0867 0.2789
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.2313 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0359 0.0311 0.2342
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0348 0.0257 0.0212
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0393 0.0479 0.1497
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0393 0.0479 0.1451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0471 0.0867 0.0825
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis CAMK family protein kinase 0.0305 0.0046 0.0349
Plasmodium falciparum protein kinase 7 0.0912 0.3056 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0348 0.0257 0.1933
Trichomonas vaginalis PIKK family atypical protein kinase 0.0393 0.0479 0.3608
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0907 0.3031 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0564 0.1329 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0393 0.0479 0.3608
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0471 0.0867 0.6526
Trichomonas vaginalis CAMK family protein kinase 0.0305 0.0046 0.0349
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0564 0.1329 0.2284
Loa Loa (eye worm) phosphatidylinositol 3 0.0471 0.0867 0.6526
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Echinococcus multilocularis serine protein kinase ATM 0.0393 0.0479 0.0435
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0471 0.0867 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0471 0.0867 0.6526
Loa Loa (eye worm) TTK protein kinase 0.0305 0.0046 0.0349
Toxoplasma gondii target of rapamycin (TOR), putative 0.0471 0.0867 0.2838
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0907 0.3031 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0471 0.0867 0.2751
Trichomonas vaginalis PIKK family atypical protein kinase 0.0471 0.0867 0.6526

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Toxicity in C57BL/J6 mouse assessed as liver lactate dehydrogenase level ChEMBL. 18835721
Activity (ADMET) Toxicity in C57BL/J6 mouse assessed as liver alanine aminotransferase level ChEMBL. 18835721
Activity (ADMET) Toxicity in C57BL/J6 mouse assessed as liver aspartate aminotransferase level ChEMBL. 18835721
Activity (ADMET) Toxicity in C57BL/J6 mouse assessed as liver alkaline phosphatase level ChEMBL. 18835721
Activity (ADMET) Toxicity in C57BL/J6 mouse assessed as creatinine level in serum ChEMBL. 18835721
IC50 (functional) = 2.62 uM Antiproliferative activity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 18835721

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18835721

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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