Detailed information for compound 1467403

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.38 | Formula: C15H19NO5S
  • H donors: 2 H acceptors: 4 LogP: 1.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: ONC(=O)/C=C/C(=C/C(S(=O)(=O)c1ccc(cc1)OC)C)/C
  • InChi: 1S/C15H19NO5S/c1-11(4-9-15(17)16-18)10-12(2)22(19,20)14-7-5-13(21-3)6-8-14/h4-10,12,18H,1-3H3,(H,16,17)/b9-4+,11-10+
  • InChiKey: VGCKRGZWCWAKQV-XNCKMFOHSA-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
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0306 0.0315 0.4622
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0534 0.0682 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0554 0.0714 0.212
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Onchocerca volvulus 0.0109 0 0.5
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0332 0.0357 0.5239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0321 0.0339 0.4973
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Trichomonas vaginalis PIKK family atypical protein kinase 0.0505 0.0635 0.9312
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0291 0.0292 0.0867
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0159 0.0081 0.0227
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0159 0.0081 0.0239
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0534 0.0682 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0318 0.0336 0.0336
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0222 0.0181 0.2657
Brugia malayi FAT domain containing protein 0.0214 0.0168 0.2351
Loa Loa (eye worm) hypothetical protein 0.0291 0.0292 0.3708
Trichomonas vaginalis PIKK family atypical protein kinase 0.0343 0.0376 0.5504
Leishmania major phosphatidylinositol 3-kinase, putative 0.0505 0.0635 0.1792
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0554 0.0714 0.8035
Onchocerca volvulus 0.0109 0 0.5
Leishmania major phosphatidylinositol 3-kinase, putative 0.0159 0.0081 0.0227
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0306 0.0315 0.4414
Leishmania major hypothetical protein, conserved 0.2319 0.3545 1
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0159 0.0081 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0118 0.0014 0.0211
Loa Loa (eye worm) hypothetical protein 0.0176 0.0107 0.1358
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0494 0.0618 0.1833
Trichomonas vaginalis PIKK family atypical protein kinase 0.0505 0.0635 0.9312
Echinococcus granulosus serine protein kinase ATM 0.0306 0.0315 0.0315
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0159 0.0081 0.1214
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.0653 0.9577
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0222 0.0181 0.2039
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0554 0.0714 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.0682 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0494 0.0618 0.9055
Schistosoma mansoni fkbp-rapamycin associated protein 0.0291 0.0292 0.3288
Echinococcus multilocularis serine protein kinase ATM 0.0306 0.0315 0.0315
Trichomonas vaginalis PIKK family atypical protein kinase 0.0291 0.0292 0.4284
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0398 0.0463 0.6792
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0159 0.0081 0.0081
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0534 0.0682 0.0682
Trichomonas vaginalis PIKK family atypical protein kinase 0.0312 0.0325 0.4761
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0113 0.0006 0.0018
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0534 0.0682 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0169 0.0096 0.1347
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0516 0.0652 0.184
Echinococcus multilocularis Zinc finger, PHD finger 0.0159 0.0081 0.0081
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0159 0.0081 0.1214
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0668 0.9788
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0525 0.0668 0.9789
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0668 0.9788
Mycobacterium leprae conserved hypothetical protein 0.0109 0 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0516 0.0652 0.8272
Trypanosoma cruzi target of rapamycin kinase 3 0.0525 0.0668 0.1982
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0668 0.9788
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0318 0.0336 0.0336
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0534 0.0682 0.955
Trichomonas vaginalis PIKK family atypical protein kinase 0.0309 0.0321 0.4707
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0534 0.0682 0.2025
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0554 0.0714 0.212
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0554 0.0714 0.0714
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0159 0.0081 0.0907
Schistosoma mansoni hypothetical protein 0.0214 0.0168 0.1889
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0222 0.0181 0.2537
Entamoeba histolytica protein kinase rad3, putative 0.0291 0.0292 0.4284
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0494 0.0618 0.9055
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0494 0.0618 0.9055
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0554 0.0714 0.0714
Trichomonas vaginalis PIKK family atypical protein kinase 0.0309 0.0321 0.4707
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0291 0.0292 0.0292
Loa Loa (eye worm) phosphatidylinositol 3 0.0534 0.0682 0.8654
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0159 0.0081 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0306 0.0315 0.4622
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0668 0.9788
Entamoeba histolytica hypothetical protein 0.0306 0.0315 0.4622
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0159 0.0081 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0222 0.0181 0.2657
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0302 0.0309 0.4532
Trichomonas vaginalis PIKK family atypical protein kinase 0.0182 0.0117 0.1719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0159 0.0081 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0222 0.0181 0.2657
Giardia lamblia GTOR 0.0534 0.0682 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.0682 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.0336 0.4257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0291 0.0292 0.0292
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0318 0.0336 0.4698
Loa Loa (eye worm) hypothetical protein 0.0214 0.0168 0.213
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0291 0.0292 0.4092
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0534 0.0682 0.1925
Loa Loa (eye worm) hypothetical protein 0.0323 0.0343 0.435
Toxoplasma gondii FATC domain-containing protein 0.0306 0.0315 0.4748
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0516 0.0652 0.9559
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0159 0.0081 0.0081
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0222 0.0181 0.0538
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Trichomonas vaginalis conserved hypothetical protein 0.0323 0.0343 0.5027
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0663 0.0889 0.0889
Trichomonas vaginalis PIKK family atypical protein kinase 0.0505 0.0635 0.9312
Leishmania major phosphatidylinositol kinase related protein, putative 0.0123 0.0023 0.0065
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0534 0.0682 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0385 0.0443 0.6489
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0214 0.0168 0.0168
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0335 0.0363 0.5317
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0534 0.0682 0.7674
Loa Loa (eye worm) hypothetical protein 0.0197 0.014 0.1779
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.0653 0.9577
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0525 0.0668 0.1884
Trichomonas vaginalis PIKK family atypical protein kinase 0.0505 0.0635 0.9312
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0494 0.0618 0.9055
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.6342 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0222 0.0181 0.2657
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.0168 0.2461
Loa Loa (eye worm) phosphatidylinositol 3 0.0113 0.0006 0.0079
Trypanosoma cruzi hypothetical protein, conserved 0.221 0.337 1
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0172 0.0101 0.1475
Loa Loa (eye worm) phosphatidylinositol 3 0.0601 0.0789 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0431 0.0517 0.7579
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0214 0.0168 0.0168
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0505 0.0635 0.9312
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0222 0.0181 0.2657
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0159 0.0081 0.0907
Trichomonas vaginalis PIKK family atypical protein kinase 0.0525 0.0668 0.9788
Trichomonas vaginalis PIKK family atypical protein kinase 0.0302 0.0309 0.4532
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0494 0.0618 0.8647
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0306 0.0315 0.0936
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0494 0.0618 0.1833
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0159 0.0081 0.0239
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Trichomonas vaginalis PIKK family atypical protein kinase 0.0523 0.0664 0.9735
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0534 0.0682 0.1925
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.0117 0.1719
Trichomonas vaginalis PIKK family atypical protein kinase 0.0309 0.0321 0.4707
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0159 0.0081 0.1128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0323 0.0343 0.5164
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0306 0.0315 0.3547
Toxoplasma gondii target of rapamycin (TOR), putative 0.0523 0.0664 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0534 0.0682 0.2025
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0159 0.0081 0.1182
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0197 0.014 0.0416
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0663 0.0889 0.0889
Mycobacterium tuberculosis Conserved hypothetical protein 0.0109 0 0.5
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0123 0.0023 0.0068
Entamoeba histolytica hypothetical protein 0.0431 0.0517 0.7579
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0398 0.0463 0.6792
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0256 0.0235 0.3444
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0222 0.0181 0.2657
Trichomonas vaginalis PIKK family atypical protein kinase 0.0516 0.0652 0.9559
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0159 0.0081 0.1182
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0534 0.0682 0.0682
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0127 0.0029 0.0423
Trichomonas vaginalis PIKK family atypical protein kinase 0.0534 0.0682 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0159 0.0081 0.1023
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0159 0.0081 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0663 0.0889 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0159 0.0081 0.1182
Trichomonas vaginalis PIKK family atypical protein kinase 0.0514 0.065 0.9523
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0159 0.0081 0.1182

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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