Detailed information for compound 1854986

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 278.229 | Formula: C14H9F3N2O
  • H donors: 1 H acceptors: 1 LogP: 3.78 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1c2ccccc2[nH]n1c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C14H9F3N2O/c15-14(16,17)9-5-7-10(8-6-9)19-13(20)11-3-1-2-4-12(11)18-19/h1-8,18H
  • InChiKey: XQRFOKRJVHIBPI-UHFFFAOYSA-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
Homo sapiens transient receptor potential cation channel, subfamily V, member 1 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0014 0 0.5
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0105 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0105 1 1
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0105 1 1
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0105 1 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0014 0 0.5
Onchocerca volvulus 0.0014 0 0.5
Schistosoma mansoni immunophilin 0.009 0.8404 0.8404
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0105 1 1
Echinococcus multilocularis fk506 binding protein 0.0105 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0105 1 1
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0105 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0014 0 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0105 1 1
Loa Loa (eye worm) FKBP5 protein 0.0105 1 1
Trichomonas vaginalis immunophilin, putative 0.0105 1 1
Loa Loa (eye worm) hypothetical protein 0.009 0.8404 0.8404
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0105 1 1
Leishmania major fk506-binding protein 1-like protein 0.0105 1 1
Schistosoma mansoni immunophilin 0.0105 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0014 0 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.009 0.8404 0.8404
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0105 1 1
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0105 1 1
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0014 0 0.5
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0105 1 1
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0014 0 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0105 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0105 1 1
Trichomonas vaginalis fk506-binding protein, putative 0.0105 1 1
Schistosoma mansoni immunophilin 0.0105 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0105 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0105 1 1
Leishmania major peptidylprolyl isomerase-like protein 0.0105 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0105 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0105 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0105 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.009 0.8404 0.8404
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0105 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0014 0 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0105 1 1
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0014 0 0.5
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0105 1 1
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0014 0 0.5
Onchocerca volvulus 0.0014 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 340 nM Antagonist activity against capsaicin-induced intracellular calcium ion increase in CHO cells expressing human TRPV1 in FLIPR assay ChEMBL. 16563760

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

1 literature reference was collected for this gene.

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