Detailed information for compound 1632771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 822.877 | Formula: C46H50F4O9
  • H donors: 2 H acceptors: 6 LogP: 8.14 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1cc(/C=C/C(=O)O[C@H]2CC[C@]3(C(=CC[C@@]4([C@@H]3C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]3([C@]4(O)CC[C@@]3(OC(=O)/C=C/c3cc(F)cc(c3)F)C(=O)C)C)O)C2)C)cc(c1)F
  • InChi: 1S/C46H50F4O9/c1-26(2)27(3)17-41(54)58-38-25-37-42(5)13-12-36(57-39(52)9-7-29-18-32(47)23-33(48)19-29)22-31(42)11-14-44(37,55)46(56)16-15-45(28(4)51,43(38,46)6)59-40(53)10-8-30-20-34(49)24-35(50)21-30/h7-11,17-21,23-24,26,36-38,55-56H,12-16,22,25H2,1-6H3/b9-7+,10-8+,27-17+/t36-,37+,38+,42-,43+,44-,45+,46+/m0/s1
  • InChiKey: RWLTWFSXXWPVEE-RBVTUVLISA-N  

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-related kinase, putative 0.0335 0.2853 0.2853
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.128 0.1031
Loa Loa (eye worm) AGC/AKT protein kinase 0.0102 0.0346 0.007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.128 0.1031
Loa Loa (eye worm) phosphatidylinositol 3 0.0998 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0998 1 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.021 0.1513 0.1772
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0795 0.7809 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0998 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0538 0.5044 0.4867
Trichomonas vaginalis PIKK family atypical protein kinase 0.0591 0.5608 0.5451
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0596 0.5672 0.5517
Trichomonas vaginalis conserved hypothetical protein 0.021 0.1513 0.1209
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0124 0.0587 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0648 0.6227 0.6092
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0189 0.128 0.128
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0335 0.2853 0.2597
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0146 0.0819 0.0819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.2853 0.2597
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0998 1 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0742 0.7244 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0189 0.128 0.128
Echinococcus multilocularis serine protein kinase ATM 0.0189 0.128 0.128
Giardia lamblia GTOR 0.0998 1 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5053 0.4876
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Entamoeba histolytica protein kinase, putative 0.0102 0.0346 0.0346
Entamoeba histolytica protein kinase rad3, putative 0.0189 0.128 0.128
Schistosoma mansoni hypothetical protein 0.0146 0.0819 0.0819
Trypanosoma cruzi target of rapamycin kinase 3 0.0795 0.7809 0.7809
Loa Loa (eye worm) phosphatidylinositol 3 0.0335 0.2853 0.2648
Echinococcus granulosus serine protein kinase ATM 0.0189 0.128 0.128
Brugia malayi FAT domain containing protein 0.0146 0.0819 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5053 0.4876
Trichomonas vaginalis PIKK family atypical protein kinase 0.0794 0.78 0.7721
Trichomonas vaginalis PIKK family atypical protein kinase 0.067 0.646 0.6333
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.0819 0.049
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.2853 0.2597
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0998 1 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0998 1 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.1438 0.1193
Toxoplasma gondii FATC domain-containing protein 0.0189 0.128 0.1439
Trichomonas vaginalis PIKK family atypical protein kinase 0.0852 0.8428 0.8371
Trichomonas vaginalis PIKK family atypical protein kinase 0.0794 0.78 0.7721
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0472 0.4332 0.4129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0998 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0998 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0591 0.5608 0.5451
Loa Loa (eye worm) hypothetical protein 0.021 0.1513 0.127
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0335 0.2853 0.2648
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0189 0.128 0.128
Entamoeba histolytica protein kinase, putative 0.0096 0.0278 0.0278
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0189 0.128 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0538 0.5044 0.4867
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0587 0.0249
Trichomonas vaginalis PIKK family atypical protein kinase 0.0596 0.5672 0.5517
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0146 0.0819 0.0819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0538 0.5044 0.4867
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0998 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0794 0.78 0.7721
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0795 0.7809 0.773
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5053 0.4876
Entamoeba histolytica protein kinase, putative 0.0102 0.0346 0.0346
Loa Loa (eye worm) hypothetical protein 0.0189 0.128 0.1031
Entamoeba histolytica hypothetical protein 0.0189 0.128 0.128
Trichomonas vaginalis PIKK family atypical protein kinase 0.0794 0.78 0.7721
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.128 0.0968
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Loa Loa (eye worm) hypothetical protein 0.0146 0.0819 0.0556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5053 0.4876
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.128 0.0968
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0998 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0742 0.7244 0.7146
Trichomonas vaginalis PIKK family atypical protein kinase 0.0794 0.78 0.7721
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0189 0.128 0.128
Brugia malayi Protein kinase domain containing protein 0.0102 0.0346 0.007
Trichomonas vaginalis PIKK family atypical protein kinase 0.0268 0.2132 0.185
Trichomonas vaginalis PIKK family atypical protein kinase 0.0998 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.128 0.0968
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0998 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.2853 0.2597
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0335 0.2853 0.2853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.2853 0.2597
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0335 0.2853 0.2597
Loa Loa (eye worm) hypothetical protein 0.0124 0.0587 0.0317
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0415 0.3713 0.3488
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0998 1 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0189 0.128 0.128
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0124 0.0587 0.0587
Schistosoma mansoni fkbp-rapamycin associated protein 0.0189 0.128 0.128
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0335 0.2853 0.2853
Trichomonas vaginalis PIKK family atypical protein kinase 0.0335 0.2853 0.2597
Trichomonas vaginalis PIKK family atypical protein kinase 0.0596 0.5672 0.5517
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0335 0.2853 0.2853
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0335 0.2853 0.2853
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0998 1 1
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0189 0.128 0.128
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0998 1 1

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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