Detailed information for compound 1596139

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 224.271 | Formula: C13H17FO2
  • H donors: 1 H acceptors: 2 LogP: 3.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC[C@H](c1ccc(cc1)CC(C)C)C(=O)O
  • InChi: 1S/C13H17FO2/c1-9(2)7-10-3-5-11(6-4-10)12(8-14)13(15)16/h3-6,9,12H,7-8H2,1-2H3,(H,15,16)/t12-/m1/s1
  • InChiKey: RHYPLXHTNFTLQW-GFCCVEGCSA-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
Echinococcus multilocularis peroxidasin 0.0111 0.1143 1
Loa Loa (eye worm) animal heme peroxidase 0.0111 0.1143 1
Schistosoma mansoni DNA-directed RNA polymerase III subunit 0.0042 0.027 0.2363
Loa Loa (eye worm) DNA-directed RNA polymerase 0.0034 0.0176 0.1538
Brugia malayi DNA-directed RNA polymerase, beta subunit family protein 0.0042 0.027 0.2363
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Onchocerca volvulus Dual oxidase homolog 0.0111 0.1143 1
Giardia lamblia DNA-directed RNA polymerase subunit B 0.003 0.0121 0.4474
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Onchocerca volvulus Peroxidase homolog 0.0111 0.1143 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Trypanosoma brucei DNA-directed RNA polymerase II subunit 2, putative 0.0042 0.027 1
Trypanosoma brucei DNA-directed RNA polymerase III, putative 0.0042 0.027 1
Toxoplasma gondii DNA-directed RNA polymerase I RPA2 0.003 0.0121 0.4474
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Loa Loa (eye worm) RNA polymerase III 128kD subunit-PA 0.0042 0.027 0.2363
Trypanosoma cruzi DNA-directed RNA polymerase III, putative 0.0042 0.027 1
Trichomonas vaginalis DNA-directed RNA polymerase III subunit, putative 0.0042 0.027 0.5
Treponema pallidum DNA-directed RNA polymerase subunit beta 0.0813 1 0.5
Trichomonas vaginalis DNA-directed RNA polymerase I subunit, putative 0.0042 0.027 0.5
Wolbachia endosymbiont of Brugia malayi DNA-directed RNA polymerase subunit beta/beta' 0.0813 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Echinococcus multilocularis DNA directed RNA polymerase III subunit RPC2 0.0042 0.027 0.2363
Trichomonas vaginalis DNA-directed RNA polymerase I subunit, putative 0.0042 0.027 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0111 0.1143 1
Loa Loa (eye worm) animal heme peroxidase 0.0111 0.1143 1
Echinococcus multilocularis DNA directed RNA polymerase I subunit RPA2 0.0042 0.027 0.2363
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Loa Loa (eye worm) animal heme peroxidase 0.0111 0.1143 1
Plasmodium falciparum DNA-directed RNA polymerase subunit beta, putative 0.0221 0.2529 1
Brugia malayi Animal haem peroxidase family protein 0.0111 0.1143 1
Brugia malayi Blistered cuticle protein 3 0.0111 0.1143 1
Schistosoma mansoni peroxidasin 0.0111 0.1143 1
Giardia lamblia DNA-directed RNA polymerase subunit B 0.0042 0.027 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Brugia malayi DNA-directed RNA polymerase II second largest subunit, putative 0.0042 0.027 0.2363
Echinococcus granulosus DNA directed RNA polymerase I subunit RPA2 0.0042 0.027 0.2363
Brugia malayi Animal haem peroxidase family protein 0.0111 0.1143 1
Plasmodium vivax DNA-directed RNA polymerase III subunit, putative 0.0042 0.027 1
Onchocerca volvulus Peroxidasin homolog 0.0111 0.1143 1
Echinococcus granulosus peroxidasin 0.0111 0.1143 1
Mycobacterium ulcerans DNA-directed RNA polymerase subunit beta 0.0813 1 0.5
Trypanosoma cruzi RNA polymerase I second largest subunit, putative 0.003 0.0121 0.1682
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Brugia malayi Animal haem peroxidase family protein 0.0111 0.1143 1
Toxoplasma gondii DNA-directed RNA polymerase III RPC2 0.0042 0.027 1
Plasmodium falciparum DNA-directed RNA polymerase II subunit RPB2, putative 0.0042 0.027 0.062
Plasmodium vivax DNA-directed RNA polymerase II subunit RPB2, putative 0.0042 0.027 1
Echinococcus granulosus DNA directed RNA polymerase III subunit RPC2 0.0042 0.027 0.2363
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Schistosoma mansoni DNA-directed rna polymerase II subunit 0.0042 0.027 0.2363
Onchocerca volvulus Chorion peroxidase homolog 0.0111 0.1143 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0111 0.1143 1
Schistosoma mansoni DNA-directed RNA polymerase I subunit 0.003 0.0121 0.1057
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Brugia malayi DNA-directed RNA polymerase III subunit 127.6 kDa polypeptide 0.0042 0.027 0.2363
Mycobacterium tuberculosis DNA-directed RNA polymerase (beta chain) RpoB (transcriptase beta chain) (RNA polymerase beta subunit) 0.0199 0.2249 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Entamoeba histolytica DNA-directed RNA polymerase subunit, putative 0.0042 0.027 0.5
Brugia malayi Animal haem peroxidase family protein 0.0111 0.1143 1
Echinococcus multilocularis DNA directed RNA polymerase II subunit RPB2 0.0042 0.027 0.2363
Echinococcus granulosus DNA directed RNA polymerase II subunit RPB2 0.0042 0.027 0.2363
Toxoplasma gondii DNA-directed RNA polymerase II RPB2 0.0042 0.027 1
Giardia lamblia DNA-directed RNA polymerase RPB2 0.0042 0.027 1
Onchocerca volvulus Peroxidasin homolog 0.0111 0.1143 1
Brugia malayi Peroxidasin 0.0111 0.1143 1
Entamoeba histolytica DNA-directed RNA polymerase III subunit 127.6 kDa polypeptide, putative 0.0042 0.027 0.5
Loa Loa (eye worm) DNA-directed RNA polymerase II second largest subunit 0.0042 0.027 0.2363
Onchocerca volvulus 0.0111 0.1143 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.1143 1
Mycobacterium leprae DNA-DIRECTED RNA POLYMERASE (BETA CHAIN) RPOB (TRANSCRIPTASE BETA CHAIN) (RNA POLYMERASE BETA SUBUNIT) 0.0813 1 0.5
Brugia malayi Animal haem peroxidase family protein 0.0111 0.1143 1
Plasmodium falciparum DNA-directed RNA polymerase III subunit RPC2, putative 0.0042 0.027 0.062
Onchocerca volvulus Peroxidase homolog 0.0111 0.1143 1
Schistosoma mansoni DNA-directed RNA polymerase III subunit 0.0042 0.027 0.2363
Onchocerca volvulus 0.0111 0.1143 1
Brugia malayi hypothetical protein 0.0111 0.1143 1
Onchocerca volvulus 0.0111 0.1143 1
Entamoeba histolytica DNA-directed RNA polymerase subunit, putative 0.0042 0.027 0.5
Leishmania major DNA-directed RNA polymerase polypeptide, putative 0.0042 0.027 1
Schistosoma mansoni peroxidasin 0.0111 0.1143 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of human recombinant COX2 up to 1 mM by EIA ChEMBL. 21602044
Inhibition (binding) Inhibition of ovine COX1 up to 1 mM by EIA ChEMBL. 21602044

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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