Detailed information for compound 1774692

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 488.606 | Formula: C29H24N6S
  • H donors: 4 H acceptors: 2 LogP: 6.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1ccc(cc1)Cc1nc2c([nH]1)cccc2)Nc1ccc(cc1)Cc1nc2c([nH]1)cccc2
  • InChi: 1S/C29H24N6S/c36-29(30-21-13-9-19(10-14-21)17-27-32-23-5-1-2-6-24(23)33-27)31-22-15-11-20(12-16-22)18-28-34-25-7-3-4-8-26(25)35-28/h1-16H,17-18H2,(H,32,33)(H,34,35)(H2,30,31,36)
  • InChiKey: WFYKCVSODKTVCV-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) variant SH3 domain-containing protein 0.0008 0.0031 0.0031
Schistosoma mansoni nck2/grb4 0.0008 0.0031 0.0031
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0019 0.059 0.4987
Entamoeba histolytica protein kinase, putative 0.0033 0.1333 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365
Toxoplasma gondii target of rapamycin (TOR), putative 0.0019 0.059 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0008 0.0031 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Onchocerca volvulus 0.0007 0 0.5
Loa Loa (eye worm) TK protein kinase 0.0033 0.1333 0.1333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Brugia malayi FAT domain containing protein 0.0008 0.0055 0.0055
Leishmania major phosphatidylinositol kinase related protein, putative 0.0019 0.0592 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0041 0.1723 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0041 0.1723 0.9868
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.001 0.0176 0.0176
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.001 0.0176 0.1023
Onchocerca volvulus 0.0007 0 0.5
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0031 0.0031
Echinococcus granulosus NCK adaptor protein 0.0008 0.0031 0.0179
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.059 0.059
Schistosoma mansoni tyrosine kinase 0.0041 0.1723 0.1723
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0019 0.0592 0.541
Loa Loa (eye worm) TK protein kinase 0.0037 0.153 0.153
Schistosoma mansoni growth factor receptor-bound protein 0.0008 0.0031 0.0031
Onchocerca volvulus 0.0007 0 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0019 0.059 0.059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Schistosoma mansoni tyrosine kinase 0.0041 0.1723 0.1723
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0762 0.7623
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Schistosoma mansoni tyrosine kinase 0.0011 0.0193 0.0193
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0019 0.059 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Loa Loa (eye worm) hypothetical protein 0.0022 0.0762 0.0762
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0019 0.059 0.059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Loa Loa (eye worm) NEK/NEK6 protein kinase 0.0203 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0011 0.0193 0.1118
Echinococcus granulosus tyrosine protein kinase Src64B 0.0041 0.1723 0.9868
Echinococcus granulosus serine:threonine protein kinase SMG1 0.001 0.0176 0.101
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0041 0.1723 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0019 0.059 0.5386
Brugia malayi Sex muscle abnormal protein 5 0.0008 0.0031 0.0031
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0019 0.059 0.338
Loa Loa (eye worm) hypothetical protein 0.0012 0.0237 0.0237
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0026 0.0944 0.0944
Schistosoma mansoni hypothetical protein 0.0008 0.0055 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0031 0.0031
Toxoplasma gondii FATC domain-containing protein 0.0026 0.0944 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0019 0.059 0.5386
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.059 0.5386
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0237 0.2052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus granulosus tyrosine protein kinase Lyn 0.0041 0.1746 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.001 0.0176 0.0176
Echinococcus multilocularis tyrosine protein kinase Srms 0.0037 0.153 0.8882
Echinococcus granulosus tyrosine kinase 0.0037 0.153 0.8764
Echinococcus granulosus serine protein kinase ATM 0.0026 0.0944 0.541
Echinococcus multilocularis NCK adaptor protein 0.0008 0.0031 0.0181
Schistosoma mansoni tyrosine kinase 0.0011 0.0193 0.0193
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0019 0.059 0.4987
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0034 0.1369 0.7945
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0019 0.059 0.3425
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.1723 0.9868
Echinococcus multilocularis c src tyrosine kinase 0.0011 0.0193 0.1118
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0019 0.059 0.4987
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0041 0.1723 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0026 0.0944 0.0944
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365
Brugia malayi SRC-1 0.0041 0.1723 0.1723
Echinococcus granulosus tyrosine protein kinase HCK 0.0033 0.1333 0.7633
Chlamydia trachomatis serine/threonine protein kinase 0.0203 1 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.059 0.059
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0019 0.059 0.059
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0019 0.059 0.4428
Entamoeba histolytica hypothetical protein 0.0026 0.0944 0.7088
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0011 0.0193 0.0193
Onchocerca volvulus 0.0007 0 0.5
Echinococcus multilocularis growth factor receptor bound protein 2 0.0008 0.0031 0.0181
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.001 0.0176 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0041 0.1723 0.9868
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0008 0.0055 0.0318
Loa Loa (eye worm) hypothetical protein 0.001 0.0176 0.0176
Onchocerca volvulus 0.0007 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0031 0.0031
Loa Loa (eye worm) SRC-1 0.0041 0.1723 0.1723
Echinococcus granulosus growth factor receptor bound protein 2 0.0008 0.0031 0.0179
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.1723 1
Schistosoma mansoni serine/threonine protein kinase 0.0203 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0034 0.1369 0.784
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.1723 1
Schistosoma mansoni adapter molecule crk 0.0008 0.0031 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.1723 0.9868
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0041 0.1723 1
Brugia malayi protein-tyrosine kinase 0.0037 0.153 0.153
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0011 0.0193 0.1103
Echinococcus granulosus tyrosine protein kinase Blk 0.0037 0.153 0.8764
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.1723 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0037 0.153 0.8882
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.1723 0.9868
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0026 0.0944 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.0055 0.0055
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Giardia lamblia GTOR 0.0019 0.059 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0041 0.1723 1
Brugia malayi Variant SH3 domain containing protein 0.0008 0.0031 0.0031
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0019 0.059 0.4987
Echinococcus granulosus tyrosine protein kinase Src42A 0.0041 0.1723 0.9868
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0011 0.0193 0.1118
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0019 0.059 0.5386
Loa Loa (eye worm) phosphatidylinositol 3 0.0019 0.059 0.059
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0019 0.059 0.4428
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0008 0.0031 0.0031
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0944 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0041 0.1723 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.153 0.8882
Echinococcus multilocularis tyrosine protein kinase HCK 0.0033 0.1333 0.7735
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0037 0.153 0.8764
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0944 1
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0008 0.0055 0.0314
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0237 0.2052
Onchocerca volvulus 0.0007 0 0.5
Trypanosoma cruzi target of rapamycin kinase 3 0.0019 0.059 0.5386
Echinococcus multilocularis serine protein kinase ATM 0.0026 0.0944 0.5483
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Entamoeba histolytica protein kinase rad3, putative 0.001 0.0176 0.1323
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0019 0.059 0.3425
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Echinococcus granulosus c src tyrosine kinase 0.0011 0.0193 0.1103
Brugia malayi Tyrosine-protein kinase abl-1 0.0011 0.0193 0.0193
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0019 0.059 0.338
Trichomonas vaginalis PIKK family atypical protein kinase 0.0019 0.059 0.6016
Trichomonas vaginalis PIKK family atypical protein kinase 0.001 0.0176 0.1365

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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