Detailed information for compound 1064071

Basic information

Technical information
  • TDR Targets ID: 1064071
  • Name: NCGC00165109-01
  • MW: 396.311 | Formula: C19H13F5N2O2
  • H donors: 1 H acceptors: 2 LogP: 5.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc2c(c1Nc1ccc(cc1F)F)ccc(c2)C(F)(F)F
  • InChi: 1S/C19H13F5N2O2/c1-2-28-18(27)13-9-25-16-7-10(19(22,23)24)3-5-12(16)17(13)26-15-6-4-11(20)8-14(15)21/h3-9H,2H2,1H3,(H,25,26)
  • InChiKey: HBJZOZMOPSVVCY-UHFFFAOYSA-N  

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 granulosus carboxylesterase 5A 0.0627 0.9296 0.9296
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0106 0.0981 0.0981
Echinococcus multilocularis para nitrobenzyl esterase 0.0106 0.0981 0.0981
Brugia malayi Carboxylesterase family protein 0.0627 0.9296 1
Loa Loa (eye worm) carboxylesterase 0.0106 0.0981 0.1055
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.1143 0.123
Mycobacterium ulcerans carboxylesterase, LipT 0.0106 0.0981 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Echinococcus granulosus neuroligin 0.0106 0.0981 0.0981
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0106 0.0981 0.0981
Brugia malayi Carboxylesterase family protein 0.0106 0.0981 0.1055
Loa Loa (eye worm) hypothetical protein 0.0627 0.9296 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Loa Loa (eye worm) hypothetical protein 0.0627 0.9296 1
Onchocerca volvulus 0.0106 0.0981 0.5
Brugia malayi Carboxylesterase family protein 0.0106 0.0981 0.1055
Onchocerca volvulus 0.0106 0.0981 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0671 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0106 0.0981 0.5
Brugia malayi Carboxylesterase family protein 0.0627 0.9296 1
Echinococcus multilocularis carboxylesterase 5A 0.0627 0.9296 0.9296
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0106 0.0981 0.5
Echinococcus granulosus acetylcholinesterase 0.0627 0.9296 0.9296
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Loa Loa (eye worm) acetylcholinesterase 1 0.0627 0.9296 1
Echinococcus granulosus BC026374 protein S09 family 0.0106 0.0981 0.0981
Trichomonas vaginalis spcc417.12 protein, putative 0.0106 0.0981 0.5
Onchocerca volvulus 0.0106 0.0981 0.5
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Brugia malayi Carboxylesterase family protein 0.0106 0.0981 0.1055
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Brugia malayi hypothetical protein 0.0106 0.0981 0.1055
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0627 0.9296 0.9296
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Brugia malayi MH2 domain containing protein 0.0116 0.1143 0.123
Schistosoma mansoni microtubule-associated protein tau 0.0671 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0106 0.0981 0.0981
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0106 0.0981 0.0981
Loa Loa (eye worm) carboxylesterase 0.0106 0.0981 0.1055
Echinococcus granulosus para nitrobenzyl esterase 0.0106 0.0981 0.0981
Loa Loa (eye worm) carboxylesterase 0.0627 0.9296 1
Echinococcus granulosus acetylcholinesterase 0.0627 0.9296 0.9296
Schistosoma mansoni gliotactin 0.0106 0.0981 0.0981
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0106 0.0981 0.0981
Brugia malayi Carboxylesterase family protein 0.0106 0.0981 0.1055
Echinococcus multilocularis BC026374 protein (S09 family) 0.0106 0.0981 0.0981
Echinococcus multilocularis acetylcholinesterase 0.0627 0.9296 0.9296
Schistosoma mansoni BC026374 protein (S09 family) 0.0106 0.0981 0.0981
Echinococcus multilocularis acetylcholinesterase 0.0627 0.9296 0.9296
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.1143 0.123
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0106 0.0981 0.0981
Echinococcus multilocularis neuroligin 0.0106 0.0981 0.0981
Loa Loa (eye worm) hypothetical protein 0.0106 0.0981 0.1055
Onchocerca volvulus 0.0106 0.0981 0.5
Onchocerca volvulus 0.0106 0.0981 0.5
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0106 0.0981 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0106 0.0981 0.5
Schistosoma mansoni acetylcholinesterase 0.0106 0.0981 0.0981

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

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