Detailed information for compound 1045102

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.222 | Formula: C13H10F6N2O
  • H donors: 1 H acceptors: 1 LogP: 3.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1c1occ(n1)CNCC(C(F)(F)F)(F)F
  • InChi: 1S/C13H10F6N2O/c14-10-4-2-1-3-9(10)11-21-8(6-22-11)5-20-7-12(15,16)13(17,18)19/h1-4,6,20H,5,7H2
  • InChiKey: QVFJPHOYAIRIFQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Leishmania major histone deacetylase, putative 0.0847 0.5238 0.5303
Loa Loa (eye worm) hypothetical protein 0.1165 0.7251 0.7342
Onchocerca volvulus 0.0057 0.024 0.0957
Plasmodium vivax histone deacetylase 2, putative 0.158 0.9876 1
Brugia malayi hypothetical protein 0.0175 0.0986 0.0998
Loa Loa (eye worm) histone deacetylase 7A 0.158 0.9876 1
Loa Loa (eye worm) hypothetical protein 0.1185 0.7375 0.7467
Loa Loa (eye worm) hypothetical protein 0.0175 0.0986 0.0998
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0121 0.0232
Echinococcus granulosus histone deacetylase 8 0.0415 0.2502 0.2502
Loa Loa (eye worm) hypothetical protein 0.0415 0.2502 0.2533
Echinococcus granulosus histone deacetylase 7 0.158 0.9876 0.9876
Trypanosoma cruzi histone deacetylase, putative 0.158 0.9876 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0139 0.014
Onchocerca volvulus Histone deacetylase 10 homolog 0.0415 0.2502 1
Schistosoma mansoni histone deacetylase 0.0847 0.5238 0.5238
Trichomonas vaginalis histone deacetylase, putative 0.0847 0.5238 1
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.024 0.024
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.0121 0.0232
Echinococcus granulosus histone deacetylase 1 0.0847 0.5238 0.5238
Trichomonas vaginalis histone deacetylase, putative 0.0847 0.5238 1
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0163 0.0163
Loa Loa (eye worm) hypothetical protein 0.0057 0.024 0.0243
Plasmodium vivax histone deacetylase 1, putative 0.0847 0.5238 0.5303
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0847 0.5238 1
Brugia malayi Histone deacetylase family protein 0.158 0.9876 1
Loa Loa (eye worm) histone deacetylase 1 0.0847 0.5238 0.5303
Echinococcus granulosus histone deacetylase 6 0.158 0.9876 0.9876
Toxoplasma gondii histone deacetylase HDAC4 0.0415 0.2502 0.2533
Schistosoma mansoni histone deacetylase 4 5 0.158 0.9876 0.9876
Echinococcus multilocularis histone deacetylase 6 0.16 1 1
Loa Loa (eye worm) histone deacetylase 0.158 0.9876 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0847 0.5238 1
Trypanosoma cruzi histone deacetylase, putative 0.158 0.9876 1
Echinococcus multilocularis histone deacetylase 8 0.0415 0.2502 0.2502
Echinococcus multilocularis histone deacetylase 1 0.0847 0.5238 0.5238
Brugia malayi Histone deacetylase 1 0.0847 0.5238 0.5303
Trichomonas vaginalis histone deacetylase, putative 0.0847 0.5238 1
Trypanosoma brucei histone deacetylase 3 0.158 0.9876 1
Onchocerca volvulus 0.0175 0.0986 0.3941
Brugia malayi histone deacetylase 11 0.0415 0.2502 0.2533
Echinococcus granulosus tumor protein p63 0.0392 0.2358 0.2358
Trypanosoma cruzi histone deacetylase 1, putative 0.0847 0.5238 0.5303
Toxoplasma gondii histone deacetylase HDAC3 0.0847 0.5238 0.5303
Echinococcus multilocularis tumor protein p63 0.0392 0.2358 0.2358
Plasmodium falciparum histone deacetylase, putative 0.158 0.9876 1
Loa Loa (eye worm) histone deacetylase 11 0.0415 0.2502 0.2533
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.0753 0.0762
Loa Loa (eye worm) hypothetical protein 0.0036 0.0104 0.0105
Trichomonas vaginalis histone deacetylase, putative 0.0847 0.5238 1
Toxoplasma gondii histone deacetylase HDAC5 0.0415 0.2502 0.2533
Trypanosoma cruzi histone deacetylase 1, putative 0.0847 0.5238 0.5303
Echinococcus multilocularis histone deacetylase 0.158 0.9876 0.9876
Schistosoma mansoni histone deacetylase hda2 0.16 1 1
Echinococcus multilocularis histone deacetylase 6 0.158 0.9876 0.9876
Brugia malayi histone deacetylase 3 (HD3) 0.0847 0.5238 0.5303
Schistosoma mansoni histone deacetylase 0.0847 0.5238 0.5238
Entamoeba histolytica histone deacetylase, putative 0.0847 0.5238 1
Echinococcus multilocularis histone deacetylase 3 0.0847 0.5238 0.5238
Schistosoma mansoni histone deacetylase hda2 0.0415 0.2502 0.2502
Toxoplasma gondii histone deacetylase HDAC2 0.0847 0.5238 0.5303
Trypanosoma brucei histone deacetylase 2 0.0415 0.2502 0.2533
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0847 0.5238 1
Schistosoma mansoni histone deacetylase 4 5 0.158 0.9876 0.9876
Trypanosoma cruzi histone deacetylase, putative 0.158 0.9876 1
Trichomonas vaginalis histone deacetylase, putative 0.0847 0.5238 1
Trypanosoma cruzi histone deacetylase, putative 0.0415 0.2502 0.2533
Brugia malayi Histone deacetylase family protein 0.158 0.9876 1
Trichomonas vaginalis histone deacetylase, putative 0.0847 0.5238 1
Loa Loa (eye worm) histone deacetylase 3 0.0847 0.5238 0.5303
Toxoplasma gondii histone deacetylase HDAC1 0.158 0.9876 1
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0163 0.0163
Plasmodium falciparum histone deacetylase 1 0.0847 0.5238 0.5303
Brugia malayi histone deacetylase 1 (HD1) 0.0847 0.5238 0.5303
Giardia lamblia Histone deacetylase 0.0847 0.5238 1
Echinococcus multilocularis histone deacetylase 6 0.158 0.9876 0.9876
Leishmania major histone deacetylase, putative 0.158 0.9876 1
Echinococcus granulosus histone deacetylase 0.158 0.9876 0.9876
Echinococcus multilocularis histone deacetylase 7 0.158 0.9876 0.9876
Plasmodium vivax histone deacetylase, putative 0.158 0.9876 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0139 0.0139
Leishmania major histone deacetylase, putative 0.0847 0.5238 0.5303
Echinococcus granulosus histone deacetylase 6 0.158 0.9876 0.9876
Trypanosoma cruzi histone deacetylase, putative 0.0415 0.2502 0.2533
Loa Loa (eye worm) hypothetical protein 0.0847 0.5238 0.5303
Trypanosoma brucei histone deacetylase, putative 0.158 0.9876 1
Schistosoma mansoni histone deacetylase 1 2 3 0.0415 0.2502 0.2502
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0139 0.014
Trypanosoma brucei histone deacetylase 4 0.158 0.9876 1
Plasmodium vivax histone deacetylase, putative 0.0415 0.2502 0.2533
Echinococcus granulosus histone deacetylase 3 0.0847 0.5238 0.5238
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.0753 0.0762
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0139 0.0139
Trypanosoma brucei histone deacetylase 1 0.0847 0.5238 0.5303
Plasmodium falciparum histone deacetylase 2 0.158 0.9876 1
Brugia malayi MH2 domain containing protein 0.0139 0.0753 0.0762
Leishmania major histone deacetylase, putative 0.158 0.9876 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 21 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.