Detailed information for compound 1622963

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.403 | Formula: C21H21FN2
  • H donors: 1 H acceptors: 1 LogP: 6.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1c1ccc2c(c1)nc([nH]2)/C=C/C1CCCCC1
  • InChi: 1S/C21H21FN2/c22-18-9-5-4-8-17(18)16-11-12-19-20(14-16)24-21(23-19)13-10-15-6-2-1-3-7-15/h4-5,8-15H,1-3,6-7H2,(H,23,24)/b13-10+
  • InChiKey: VHNGTASFMXVRAS-JLHYYAGUSA-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
Canis familiaris Transient receptor potential M8 protein Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis transient receptor potential cation channel Transient receptor potential M8 protein   1104 aa 1108 aa 25.5 %
Schistosoma mansoni transient receptor potential cation channel subfamily m member Transient receptor potential M8 protein   1104 aa 1075 aa 25.3 %
Echinococcus granulosus transient receptor potential cation channel Transient receptor potential M8 protein   1104 aa 1114 aa 24.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0583 0.5885 0.8113
Echinococcus granulosus nervana 2 0.0583 0.5885 0.8113
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Leishmania major folate/biopterin transporter, putative 0.0065 0 0.5
Entamoeba histolytica protein kinase, putative 0.0887 0.9337 0.9337
Entamoeba histolytica protein kinase, putative 0.0945 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0648 0.6622 1
Entamoeba histolytica protein kinase, putative 0.0945 1 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.059 0.5959 0.8303
Trypanosoma cruzi rac serine-threonine kinase, putative 0.059 0.5959 0.8999
Schistosoma mansoni serine/threonine-protein kinase 0.0648 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Echinococcus multilocularis nervana 2 0.0583 0.5885 0.8113
Leishmania major protein kinase, putative 0.0065 0 0.5
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0297 0.2641 0.2641
Loa Loa (eye worm) AGC/AKT protein kinase 0.0945 1 1
Entamoeba histolytica protein kinase, putative 0.0304 0.2715 0.2715
Leishmania major protein kinase, putative,serine/threonine protein kinase, putative 0.0065 0 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0648 0.6622 0.6622
Leishmania major serine/threonine-protein kinase a, putative 0.0065 0 0.5
Echinococcus multilocularis nervana 2 0.0583 0.5885 0.8113
Trypanosoma cruzi Protein kinase B 0.0648 0.6622 1
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0065 0 0.5
Echinococcus multilocularis rac serine:threonine kinase 0.0648 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.0304 0.2715 0.2715
Entamoeba histolytica PH domain containing protein kinase, putative 0.0648 0.6622 0.6622
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.059 0.5959 0.8303
Echinococcus granulosus nervana 2 0.0583 0.5885 0.8113
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0887 0.9337 0.909
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.059 0.5959 1
Trichomonas vaginalis AGC family protein kinase 0.0362 0.3378 0.3378
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0648 0.6622 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0583 0.5885 0.8113
Echinococcus granulosus serine threonine protein kinase nrc 0.059 0.5959 0.8303
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0945 1 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.059 0.5959 1
Toxoplasma gondii AGC kinase 0.0887 0.9337 1
Echinococcus granulosus serine/threonine protein kinase 0.0648 0.6622 1
Leishmania major protein kinase, putative 0.0065 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0304 0.2715 0.2715
Trichomonas vaginalis AGC family protein kinase 0.0945 1 1
Giardia lamblia Kinase, AGC PKA 0.059 0.5959 0.5
Trichomonas vaginalis AGC family protein kinase 0.0304 0.2715 0.2715
Brugia malayi p70 ribosomal S6 kinase beta 0.0887 0.9337 0.909
Entamoeba histolytica protein kinase 2, putative 0.059 0.5959 0.5959
Echinococcus granulosus Glutaredoxin protein 5 0.0583 0.5885 0.8113
Echinococcus multilocularis Glutaredoxin protein 5 0.0583 0.5885 0.8113

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 21 nM Antagonist activity at dog TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced calcium flux by FLIPR assay ChEMBL. 22330635

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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