Detailed information for compound 1775871

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 500.59 | Formula: C23H24N4O5S2
  • H donors: 2 H acceptors: 5 LogP: 3.79 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)sc(n2)NS(=O)(=O)C
  • InChi: 1S/C23H24N4O5S2/c1-23(2,3)16-12-14(27-9-8-19(28)25-22(27)29)11-15(20(16)32-4)13-6-7-17-18(10-13)33-21(24-17)26-34(5,30)31/h6-12H,1-5H3,(H,24,26)(H,25,28,29)
  • InChiKey: VQTJHVDHKTWBNP-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
Loa Loa (eye worm) hypothetical protein 0.0008 0.0027 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Onchocerca volvulus 0.0007 0 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.0568 0.0568
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.0568 0.4987
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0043 0.1668 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.1668 0.9863
Entamoeba histolytica protein kinase rad3, putative 0.0011 0.0167 0.1297
Echinococcus granulosus tyrosine protein kinase HCK 0.0035 0.129 0.763
Brugia malayi FAT domain containing protein 0.0008 0.005 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.0568 0.4402
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.1322 0.7817
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0027 0.0027
Schistosoma mansoni adapter molecule crk 0.0008 0.0027 0.0027
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.0568 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.0568 0.3359
Echinococcus granulosus tyrosine protein kinase Blk 0.0039 0.1481 0.8761
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0043 0.1668 1
Onchocerca volvulus 0.0007 0 0.5
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0568 0.5386
Giardia lamblia GTOR 0.0019 0.0568 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.005 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.0568 0.3359
Onchocerca volvulus 0.0007 0 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0008 0.0027 0.0161
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0008 0.005 0.0294
Loa Loa (eye worm) SRC-1 0.0043 0.1668 0.1668
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0011 0.0186 0.1118
Schistosoma mansoni serine/threonine protein kinase 0.0219 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0043 0.1668 0.9863
Schistosoma mansoni fkbp-rapamycin associated protein 0.0011 0.0167 0.0167
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0227 0.2052
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.0568 0.5386
Schistosoma mansoni hypothetical protein 0.0008 0.005 0.005
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.0568 0.4987
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.0167 0.0167
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0043 0.1668 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0023 0.0734 0.7623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Loa Loa (eye worm) hypothetical protein 0.0023 0.0734 0.0734
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.0568 0.4402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus multilocularis tyrosine protein kinase Blk 0.0039 0.1481 0.8882
Loa Loa (eye worm) TK protein kinase 0.0039 0.1481 0.1481
Echinococcus granulosus serine protein kinase ATM 0.0027 0.0911 0.5389
Schistosoma mansoni nck2/grb4 0.0008 0.0027 0.0027
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.1668 0.9863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.1668 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Schistosoma mansoni tyrosine kinase 0.0011 0.0186 0.0186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0011 0.0186 0.0186
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.1322 0.7925
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.0568 0.4987
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0008 0.0027 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus multilocularis serine protein kinase ATM 0.0027 0.0911 0.5463
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0227 0.2052
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.0568 0.3405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0027 0.0911 0.0911
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0027 0.0027
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.0568 0.0568
Loa Loa (eye worm) hypothetical protein 0.0011 0.0167 0.0167
Onchocerca volvulus 0.0007 0 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.0568 0.5386
Toxoplasma gondii FATC domain-containing protein 0.0027 0.0911 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0008 0.0027 0.0027
Echinococcus granulosus c src tyrosine kinase 0.0011 0.0186 0.1103
Echinococcus granulosus tyrosine protein kinase Src64B 0.0043 0.1668 0.9863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0011 0.0167 0.099
Echinococcus multilocularis NCK adaptor protein 0.0008 0.0027 0.0161
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0027 0.0911 0.0911
Schistosoma mansoni tyrosine kinase 0.0043 0.1668 0.1668
Brugia malayi Tyrosine-protein kinase abl-1 0.0011 0.0186 0.0186
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.0568 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0043 0.1668 0.9863
Entamoeba histolytica protein kinase, putative 0.0035 0.129 1
Chlamydia trachomatis serine/threonine protein kinase 0.0219 1 0.5
Echinococcus multilocularis tyrosine protein kinase Srms 0.0039 0.1481 0.8882
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0011 0.0167 0.1003
Brugia malayi protein-tyrosine kinase 0.0039 0.1481 0.1481
Echinococcus granulosus tyrosine protein kinase Lyn 0.0043 0.1691 1
Brugia malayi SRC-1 0.0043 0.1668 0.1668
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0027 0.0027
Entamoeba histolytica hypothetical protein 0.0027 0.0911 0.7063
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.0568 0.3405
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0039 0.1481 0.8882
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0043 0.1668 0.9863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0043 0.1668 1
Loa Loa (eye worm) NEK/NEK6 protein kinase 0.0219 1 1
Onchocerca volvulus 0.0007 0 0.5
Echinococcus granulosus growth factor receptor bound protein 2 0.0008 0.0027 0.0159
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0043 0.1668 1
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0008 0.0027 0.0027
Echinococcus granulosus NCK adaptor protein 0.0008 0.0027 0.0159
Leishmania major phosphatidylinositol kinase related protein, putative 0.002 0.057 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.1668 1
Schistosoma mansoni tyrosine kinase 0.0043 0.1668 0.1668
Loa Loa (eye worm) TK protein kinase 0.0035 0.129 0.129
Brugia malayi Sex muscle abnormal protein 5 0.0008 0.0027 0.0027
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0011 0.0167 0.1297
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.0568 0.5386
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.0568 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0911 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0568 0.0568
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.002 0.057 0.541
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0011 0.0186 0.1103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0043 0.1668 1
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0027 0.0027
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0043 0.1668 1
Echinococcus multilocularis c src tyrosine kinase 0.0011 0.0186 0.1118
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.0568 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0027 0.0911 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Schistosoma mansoni tyrosine kinase 0.0011 0.0186 0.0186
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016
Echinococcus multilocularis tyrosine protein kinase Abl 0.0011 0.0186 0.1118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.0167 0.1365
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0027 0.0911 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0008 0.005 0.0299
Echinococcus granulosus tyrosine kinase 0.0039 0.1481 0.8761
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0043 0.1668 0.9863
Echinococcus multilocularis tyrosine protein kinase HCK 0.0035 0.129 0.7735
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0039 0.1481 0.8761
Loa Loa (eye worm) hypothetical protein 0.0012 0.0227 0.0227
Onchocerca volvulus 0.0007 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.0568 0.0568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.0568 0.6016

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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