Detailed information for compound 920940

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.383 | Formula: C19H19F2N5O2
  • H donors: 3 H acceptors: 5 LogP: 3.67 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cnc2c(c1)c(c[nH]2)c1ncc(c(n1)N[C@H]1CCCC[C@]1(C)C(=O)O)F
  • InChi: 1S/C19H19F2N5O2/c1-19(18(27)28)5-3-2-4-14(19)25-17-13(21)9-24-16(26-17)12-8-23-15-11(12)6-10(20)7-22-15/h6-9,14H,2-5H2,1H3,(H,22,23)(H,27,28)(H,24,25,26)/t14-,19-/m0/s1
  • InChiKey: ORNWHPWODMIMQS-LIRRHRJNSA-N  


Substructure search Similarity search

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 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
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
Trichomonas vaginalis conserved hypothetical protein 0.0259 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0259 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Entamoeba histolytica protein kinase, putative 0.0116 0.4264 1
Trichomonas vaginalis conserved hypothetical protein 0.0259 1 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0116 0.4264 1
Schistosoma mansoni nephrin 0.0019 0.0371 0.0869
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.4264 1
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.4264 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Brugia malayi Immunoglobulin I-set domain containing protein 0.0022 0.0507 0.1188
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.4264 1
Echinococcus granulosus roundabout 2 0.0019 0.0371 0.0869
Trichomonas vaginalis conserved hypothetical protein 0.0259 1 1
Echinococcus multilocularis neuroglian 0.0019 0.0371 0.0869
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0019 0.0371 0.0869
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0116 0.4264 1
Echinococcus multilocularis Immunoglobulin 0.0019 0.0371 0.0869
Giardia lamblia Kinase, CMGC GSK 0.0116 0.4264 0.5
Echinococcus granulosus Immunoglobulin 0.0019 0.0371 0.0869
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0116 0.4264 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Echinococcus multilocularis Immunoglobulin 0.0019 0.0371 0.0869
Trichomonas vaginalis conserved hypothetical protein 0.0259 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0011 0.0045 0.0104
Brugia malayi intracellular kinase 0.0116 0.4264 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0116 0.4264 0.5
Plasmodium vivax glycogen synthase kinase 3, putative 0.0116 0.4264 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0019 0.0371 0.0869
Trichomonas vaginalis hypothetical protein 0.0259 1 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0019 0.0371 0.0869
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Echinococcus granulosus neuroglian 0.0019 0.0371 0.0869
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0116 0.4264 0.5
Echinococcus multilocularis roundabout 2 0.0019 0.0371 0.0869
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0116 0.4264 0.5
Schistosoma mansoni vesicular amine transporter 0.0019 0.0371 0.0869
Echinococcus granulosus twitchin 0.002 0.0415 0.0973
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.4264 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0022 0.0507 0.1188
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Echinococcus granulosus protein kinase shaggy 0.0116 0.4264 1
Trypanosoma brucei protein kinase, putative 0.0116 0.4264 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0259 1 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0019 0.0371 0.0869
Echinococcus multilocularis protein kinase shaggy 0.0116 0.4264 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0371 0.0869
Brugia malayi Fibronectin type III domain containing protein 0.0019 0.0371 0.0869
Onchocerca volvulus 0.0116 0.4264 1
Plasmodium falciparum glycogen synthase kinase 3 0.0116 0.4264 0.5
Giardia lamblia Kinase, CMGC GSK 0.0116 0.4264 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0019 0.0371 0.0869
Brugia malayi hypothetical protein 0.0019 0.0371 0.0869
Schistosoma mansoni cell adhesion molecule 0.0019 0.0371 0.0869
Echinococcus granulosus defective proboscis extension response 0.0019 0.0371 0.0869

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) < 0.002 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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