Detailed information for compound 1555151

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 363.426 | Formula: C19H26FN3O3
  • H donors: 0 H acceptors: 1 LogP: 1.77 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCN(C1=NC(c2cccc(c2)F)C(=C(N1CC)C)C(=O)OC)C
  • InChi: 1S/C19H26FN3O3/c1-6-23-13(2)16(18(24)26-5)17(14-8-7-9-15(20)12-14)21-19(23)22(3)10-11-25-4/h7-9,12,17H,6,10-11H2,1-5H3
  • InChiKey: SUELGRGYHFUSGX-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) transcription factor SMAD2 0.0144 0.3738 0.3738
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0018 0.0146 0.0267
Trypanosoma brucei rac serine-threonine kinase, putative 0.0018 0.0146 0.5
Brugia malayi Protein kinase domain containing protein 0.0018 0.0146 0.0146
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0011 0.002
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Entamoeba histolytica protein kinase, putative 0.0018 0.0146 1
Entamoeba histolytica protein kinase, putative 0.0018 0.0146 1
Brugia malayi Protein kinase domain containing protein 0.0018 0.0146 0.0146
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0018 0.0146 0.0146
Echinococcus multilocularis geminin 0.0205 0.5452 1
Schistosoma mansoni serine/threonine protein kinase 0.0013 0.0011 0.002
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0018 0.0146 0.0267
Onchocerca volvulus 0.0365 1 1
Brugia malayi Protein kinase c protein 2 0.0096 0.2377 0.2377
Entamoeba histolytica protein kinase, putative 0.0018 0.0146 1
Schistosoma mansoni protein kinase C mu 0.0013 0.0011 0.002
Echinococcus multilocularis unc 13 (munc13) 0.0015 0.0073 0.0134
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0018 0.0146 0.0146
Loa Loa (eye worm) AGC/PKN protein kinase 0.0018 0.0146 0.0146
Brugia malayi Protein kinase domain containing protein 0.0013 0.0011 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0146 0.0267
Schistosoma mansoni atypical protein kinase C 0.003 0.0497 0.0912
Echinococcus multilocularis protein kinase c iota type 0.003 0.0497 0.0912
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3738 0.3738
Brugia malayi protein kinase C II. 0.0033 0.057 0.057
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Echinococcus granulosus NDR protein kinase 0.0018 0.0146 0.0267
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0018 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0158 0.4126 0.4126
Schistosoma mansoni protein kinase C 0.0015 0.0073 0.0134
Echinococcus multilocularis serine:threonine protein kinase N2 0.0018 0.0146 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.2864 0.5253
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0018 0.0146 0.0146
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0018 0.0146 0.0146
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0013 0.0011 0.002
Brugia malayi Muscleblind-like protein 0.0158 0.4126 0.4126
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0113 0.2864 0.5253
Loa Loa (eye worm) hypothetical protein 0.0081 0.1942 0.1942
Loa Loa (eye worm) hypothetical protein 0.0093 0.2294 0.2294
Schistosoma mansoni hypothetical protein 0.0205 0.5452 1
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0146 0.0267
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0018 0.0146 0.0267
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0013 0.0011 0.0011
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0146 0.0267
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0018 0.0146 0.0146
Echinococcus multilocularis muscleblind protein 1 0.0158 0.4126 0.7567
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Brugia malayi MH2 domain containing protein 0.0144 0.3738 0.3738
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0013 0.0011 0.0011
Echinococcus multilocularis serine threonine protein kinase 0.0101 0.2512 0.4608
Onchocerca volvulus 0.0015 0.0073 0.0073
Brugia malayi Hr1 repeat family protein 0.0018 0.0146 0.0146
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0013 0.0011 0.0011
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0084 0.2026 0.2026
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.057 0.1046
Schistosoma mansoni unc-13 (munc13) 0.0015 0.0073 0.0134
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Echinococcus granulosus protein kinase C gamma type 0.0101 0.2512 0.4608
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.2864 0.5253
Entamoeba histolytica protein kinase, putative 0.0018 0.0146 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.4126 0.4126
Echinococcus granulosus protein kinase c epsilon type 0.0033 0.057 0.1046
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0015 0.0073 0.0134
Brugia malayi Protein kinase domain containing protein 0.0018 0.0146 0.0146
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0033 0.057 0.057
Brugia malayi p70 ribosomal S6 kinase beta 0.0018 0.0146 0.0146
Brugia malayi C1-like domain containing protein 0.0013 0.0011 0.0011
Toxoplasma gondii AGC kinase 0.0018 0.0146 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0018 0.0146 0.0267
Echinococcus multilocularis serine:threonine protein kinase 38 0.0018 0.0146 0.0267
Schistosoma mansoni serine/threonine protein kinase 0.0018 0.0146 0.0267
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0081 0.1942 0.3562
Echinococcus granulosus muscleblind protein 0.0158 0.4126 0.7567
Schistosoma mansoni unc-13 (munc13) 0.0015 0.0073 0.0134
Loa Loa (eye worm) hypothetical protein 0.0015 0.0073 0.0073
Echinococcus granulosus unc 13 munc13 0.0015 0.0073 0.0134
Echinococcus granulosus protein kinase c iota type 0.003 0.0497 0.0912
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0018 0.0146 0.0267
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0015 0.0073 0.0134
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0013 0.0011 0.002
Echinococcus multilocularis muscleblind protein 0.0158 0.4126 0.7567
Loa Loa (eye worm) hypothetical protein 0.0365 1 1
Echinococcus multilocularis RNA directed DNA polymerase 0.0081 0.1942 0.3562
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Echinococcus multilocularis protein kinase c epsilon type 0.0033 0.057 0.1046
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0018 0.0146 0.0267
Schistosoma mansoni hypothetical protein 0.0205 0.5452 1
Echinococcus granulosus RNA directed DNA polymerase 0.0081 0.1942 0.3562
Schistosoma mansoni serine/threonine kinase 0.0018 0.0146 0.0267
Echinococcus multilocularis serine:threonine protein kinase N2 0.0018 0.0146 0.0267
Echinococcus granulosus geminin 0.0205 0.5452 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0113 0.2864 0.5253
Trichomonas vaginalis AGC family protein kinase 0.0018 0.0146 1
Brugia malayi protein kinase C3,putative 0.0013 0.0011 0.0011
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0018 0.0146 0.0267
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0146

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2114 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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