Detailed information for compound 1750737

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 683.138 | Formula: C31H34ClF3N4O6S
  • H donors: 3 H acceptors: 5 LogP: 4.59 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H](N1C[C@@H](C)[C@@H](CN(C(=O)Nc2ccc(cc2)C(F)(F)F)C)Oc2c(CC1=O)cc(cc2)NS(=O)(=O)c1ccc(cc1)Cl)C
  • InChi: 1S/C31H34ClF3N4O6S/c1-19-16-39(20(2)18-40)29(41)15-21-14-25(37-46(43,44)26-11-6-23(32)7-12-26)10-13-27(21)45-28(19)17-38(3)30(42)36-24-8-4-22(5-9-24)31(33,34)35/h4-14,19-20,28,37,40H,15-18H2,1-3H3,(H,36,42)/t19-,20-,28-/m1/s1
  • InChiKey: AOOWTWOAVFKVAZ-NCXSOUSFSA-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
Brugia malayi Protein kinase domain containing protein 0.0452 0.4591 0.4591
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0651 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0114 0.0652 0.0001
Entamoeba histolytica hypothetical protein 0.0114 0.0651 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0118 0.0694 0.0694
Trypanosoma brucei rac serine-threonine kinase, putative 0.0058 0 0.5
Brugia malayi regulator of G-protein signaling rgs-7 0.0114 0.0651 0.0651
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.0694 0.0046
Loa Loa (eye worm) PXA domain-containing protein 0.0114 0.0651 0.0651
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0114 0.0651 1
Toxoplasma gondii AGC kinase 0.0058 0 0.5
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0452 0.4591 0.4591
Brugia malayi PXA domain containing protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0916 1 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0114 0.0651 0.0651
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0651 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0651 0.0651
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0652 0.0001
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0087 0.0329 0.5
Echinococcus multilocularis beta adrenergic receptor kinase 0.0118 0.0694 0.0053
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0114 0.0651 0.0651
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.0694 0.0046
Brugia malayi Regulator of G protein signaling domain containing protein 0.0114 0.0651 0.0651
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0114 0.0652 0.0001
Echinococcus granulosus rho-associated protein kinase 1 0.0148 0.1042 0.0488
Entamoeba histolytica hypothetical protein 0.0114 0.0651 1
Onchocerca volvulus 0.0148 0.1042 1
Schistosoma mansoni serine/threonine protein kinase 0.0916 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0651 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0114 0.0652 0.0652
Echinococcus multilocularis rho associated protein kinase 0.0148 0.1042 0.0488
Brugia malayi PXA domain containing protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0802 0.8667 0.8667
Loa Loa (eye worm) hypothetical protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) hypothetical protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0802 0.8667 0.8667
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0651 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0114 0.0651 0.0651
Brugia malayi hypothetical protein 0.0114 0.0651 0.0651
Loa Loa (eye worm) RGS-3 protein 0.0114 0.0651 0.0651
Brugia malayi hypothetical protein 0.0114 0.0651 0.0651
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0802 0.8667 1
Brugia malayi regulator of G-protein signaling egl-10 0.0114 0.0651 0.0651
Giardia lamblia Kinase, AGC AKT 0.0087 0.0329 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0651 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0114 0.0651 0.0651
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0802 0.8667 1
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0651 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0118 0.0694 0.0053
Schistosoma mansoni serine/threonine protein kinase 0.0148 0.1042 0.0418
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0802 0.8667 0.8667
Entamoeba histolytica hypothetical protein 0.0114 0.0651 1
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0087 0.0329 0.0329

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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