Detailed information for compound 922222

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 362.789 | Formula: C16H16ClFN6O
  • H donors: 2 H acceptors: 4 LogP: 2.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cnc2c(c1)c(c[nH]2)c1ncc(c(n1)N[C@H](C(=O)N(C)C)C)F
  • InChi: 1S/C16H16ClFN6O/c1-8(16(25)24(2)3)22-15-12(18)7-21-14(23-15)11-6-20-13-10(11)4-9(17)5-19-13/h4-8H,1-3H3,(H,19,20)(H,21,22,23)/t8-/m0/s1
  • InChiKey: RYLYZVYXGULJRD-QMMMGPOBSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus (strain A/Puerto Rico/8/1934 H1N1) Polymerase basic protein 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_158196 All targets in OG5_158196

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
Leishmania major adenosine kinase, putative 0.0455 1 0.5
Echinococcus granulosus adenosine kinase 0.0455 1 0.5
Trypanosoma cruzi adenosine kinase, putative 0.0455 1 0.5
Trypanosoma cruzi adenosine kinase, putative 0.0455 1 0.5
Toxoplasma gondii kinase, pfkB family protein 0.0455 1 0.5
Schistosoma mansoni adenosine kinase 0.0455 1 0.5
Trypanosoma brucei adenosine kinase, putative 0.0455 1 0.5
Echinococcus multilocularis adenosine kinase 0.0455 1 0.5
Onchocerca volvulus 0.0404 0 0.5
Schistosoma mansoni adenosine kinase 0.0455 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0455 1 0.5
Trypanosoma brucei adenosine kinase, putative 0.0455 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 0.1 uM Binding affinity to influenza A virus (A/Puerto Rico/8/1934(H1N1)) PB2 by competition binding fluorescence polarization (FP) assay ChEMBL. 25019388

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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