Detailed information for compound 1775867

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 498.595 | Formula: C25H30N4O5S
  • H donors: 3 H acceptors: 4 LogP: 3.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(cc(cc1C(C)(C)C)n1ccc(=O)[nH]c1=O)c1ccc2c(c1)CCC2NNS(=O)(=O)C
  • InChi: 1S/C25H30N4O5S/c1-25(2,3)20-14-17(29-11-10-22(30)26-24(29)31)13-19(23(20)34-4)16-6-8-18-15(12-16)7-9-21(18)27-28-35(5,32)33/h6,8,10-14,21,27-28H,7,9H2,1-5H3,(H,26,30,31)
  • InChiKey: LWUPFIBYTKEWJQ-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
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.002 0.0372 0.5386
Loa Loa (eye worm) animal heme peroxidase 0.0344 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.002 0.0372 0.4403
Brugia malayi Peroxidasin 0.0344 1 1
Brugia malayi Animal haem peroxidase family protein 0.0344 1 1
Echinococcus granulosus c src tyrosine kinase 0.0012 0.0122 0.0122
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0011 0.011 0.1298
Toxoplasma gondii FATC domain-containing protein 0.0028 0.0597 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.1093 0.1093
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0044 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.002 0.0372 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.0845 0.0845
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0597 0.0597
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0028 0.0597 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0044 0.1093 0.1093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Echinococcus granulosus tyrosine protein kinase Src64B 0.0044 0.1093 0.1093
Loa Loa (eye worm) SRC-1 0.0044 0.1093 0.1093
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.002 0.0372 0.4987
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Brugia malayi Serine/threonine-protein kinase Nek7 0.0228 0.6544 0.6544
Onchocerca volvulus 0.0344 1 1
Onchocerca volvulus Peroxidasin homolog 0.0344 1 1
Brugia malayi Animal haem peroxidase family protein 0.0344 1 1
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.002 0.0372 0.4403
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trypanosoma cruzi target of rapamycin kinase 3 0.002 0.0372 0.5386
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0044 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0018 0.0018
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.1108 0.1108
Echinococcus multilocularis tyrosine protein kinase Fyn 0.004 0.0971 0.0971
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.0845 0.0845
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Schistosoma mansoni adapter molecule crk 0.0008 0.0018 0.0018
Echinococcus granulosus NCK adaptor protein 0.0008 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.1093 0.1093
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.002 0.0372 0.4987
Schistosoma mansoni tyrosine kinase 0.0044 0.1093 0.1093
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.002 0.0372 0.0372
Echinococcus multilocularis tyrosine protein kinase Srms 0.004 0.0971 0.0971
Loa Loa (eye worm) hypothetical protein 0.0024 0.0481 0.0481
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Schistosoma mansoni tyrosine kinase 0.0012 0.0122 0.0122
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0008 0.0018 0.0018
Brugia malayi SRC-1 0.0044 0.1093 0.1093
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Schistosoma mansoni tyrosine kinase 0.0044 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Schistosoma mansoni peroxidasin 0.0344 1 1
Brugia malayi Animal haem peroxidase family protein 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Brugia malayi FAT domain containing protein 0.0009 0.0033 0.0033
Brugia malayi Tyrosine-protein kinase abl-1 0.0012 0.0122 0.0122
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0149 0.2052
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0372 0.5386
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0011 0.011 0.011
Entamoeba histolytica hypothetical protein 0.0028 0.0597 0.7064
Entamoeba histolytica protein kinase rad3, putative 0.0011 0.011 0.1298
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Echinococcus multilocularis peroxidasin 0.0344 1 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0481 0.7623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0008 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Loa Loa (eye worm) hypothetical protein 0.0008 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus multilocularis serine protein kinase ATM 0.0028 0.0597 0.0597
Echinococcus multilocularis tyrosine protein kinase Abl 0.0012 0.0122 0.0122
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.002 0.0372 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Loa Loa (eye worm) hypothetical protein 0.0013 0.0149 0.0149
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Schistosoma mansoni fkbp-rapamycin associated protein 0.0011 0.011 0.011
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0012 0.0122 0.0122
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0028 0.0597 0.0597
Brugia malayi protein-tyrosine kinase 0.004 0.0971 0.0971
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.002 0.0372 0.0372
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0037 0.0866 0.0866
Echinococcus granulosus serine protein kinase ATM 0.0028 0.0597 0.0597
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0044 0.1093 0.1093
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.002 0.0372 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.1093 0.1093
Echinococcus granulosus tyrosine kinase 0.004 0.0971 0.0971
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0011 0.011 0.011
Loa Loa (eye worm) animal heme peroxidase 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Brugia malayi Blistered cuticle protein 3 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0011 0.011 0.1365
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.002 0.0373 0.541
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus granulosus growth factor receptor bound protein 2 0.0008 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0011 0.011 0.011
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0597 1
Brugia malayi Animal haem peroxidase family protein 0.0344 1 1
Leishmania major phosphatidylinositol kinase related protein, putative 0.002 0.0373 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0044 0.1093 0.1093
Entamoeba histolytica protein kinase, putative 0.0036 0.0845 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.002 0.0372 0.4987
Schistosoma mansoni nck2/grb4 0.0008 0.0018 0.0018
Echinococcus multilocularis tyrosine protein kinase Blk 0.004 0.0971 0.0971
Loa Loa (eye worm) NEK/NEK6 protein kinase 0.0228 0.6544 0.6544
Loa Loa (eye worm) TK protein kinase 0.0036 0.0845 0.0845
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.002 0.0372 0.0372
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0011 0.011 0.011
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0009 0.0033 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Onchocerca volvulus 0.0344 1 1
Onchocerca volvulus Peroxidase homolog 0.0344 1 1
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Chlamydia trachomatis serine/threonine protein kinase 0.0228 0.6544 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0044 0.1093 0.1093
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0372 0.0372
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0012 0.0122 0.0122
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0009 0.0033 0.0033
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0372 0.0372
Echinococcus granulosus tyrosine protein kinase Src42A 0.0044 0.1093 0.1093
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0597 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0012 0.0122 0.0122
Giardia lamblia GTOR 0.002 0.0372 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.004 0.0971 0.0971
Trypanosoma brucei target of rapamycin kinase 3, putative 0.002 0.0372 0.4987
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0018 0.0018
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.002 0.0372 0.0372
Schistosoma mansoni tyrosine kinase 0.0012 0.0122 0.0122
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0018 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0372 0.5386
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0044 0.1093 0.1093
Loa Loa (eye worm) TK protein kinase 0.004 0.0971 0.0971
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0344 1 1
Onchocerca volvulus Dual oxidase homolog 0.0344 1 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0008 0.0018 0.0018
Echinococcus granulosus tyrosine protein kinase Src42A 0.0037 0.0866 0.0866
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.004 0.0971 0.0971
Echinococcus multilocularis NCK adaptor protein 0.0008 0.0018 0.0018
Echinococcus granulosus peroxidasin 0.0344 1 1
Brugia malayi Sex muscle abnormal protein 5 0.0008 0.0018 0.0018
Onchocerca volvulus Peroxidasin homolog 0.0344 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Onchocerca volvulus 0.0344 1 1
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0044 0.1093 0.1093
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0044 0.1093 0.1093
Onchocerca volvulus Peroxidase homolog 0.0344 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.1093 0.1093
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0372 0.0372
Schistosoma mansoni serine/threonine protein kinase 0.0228 0.6544 0.6544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0149 0.2052
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.002 0.0372 0.4987
Loa Loa (eye worm) animal heme peroxidase 0.0344 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0012 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Schistosoma mansoni hypothetical protein 0.0009 0.0033 0.0033
Loa Loa (eye worm) blistered cuticle protein 3 0.0344 1 1
Schistosoma mansoni peroxidasin 0.0344 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0372 0.6016
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Loa Loa (eye worm) hypothetical protein 0.0344 1 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0008 0.0018 0.0018
Brugia malayi Animal haem peroxidase family protein 0.0344 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0044 0.1093 0.1093
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.002 0.0372 0.4987

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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