Detailed information for compound 1429000

Basic information

Technical information
  • TDR Targets ID: 1429000
  • Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan- 2-yl)phenyl]-N-methylacetamide
  • MW: 315.212 | Formula: C12H11F6NO2
  • H donors: 1 H acceptors: 2 LogP: 2.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C(=O)C
  • InChi: 1S/C12H11F6NO2/c1-7(20)19(2)9-5-3-8(4-6-9)10(21,11(13,14)15)12(16,17)18/h3-6,21H,1-2H3
  • InChiKey: ABRGGILZLICGJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]acetamide
  • N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-propan-2-yl)phenyl]-N-methyl-ethanamide
  • ChemDiv3_005353
  • IDI1_023263
  • MLS000727535
  • N-methyl-N-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}acetamide
  • SMR000306232
  • ZINC00213096

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0286 0.8418 1
Plasmodium vivax hypothetical protein, conserved 0.0129 0.2906 0.5
Onchocerca volvulus 0.0129 0.2906 1
Trypanosoma cruzi hypothetical protein, conserved 0.0046 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0046 0 0.5
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0129 0.2906 1
Schistosoma mansoni hypothetical protein 0.0058 0.044 0.0788
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0046 0 0.5
Echinococcus multilocularis geminin 0.0205 0.5578 0.5578
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0129 0.2906 1
Brugia malayi brahma associated protein 60 kDa 0.0129 0.2906 0.3452
Leishmania major hypothetical protein, conserved 0.0046 0 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.044 0.0522
Trypanosoma cruzi hypothetical protein, conserved 0.0046 0 0.5
Leishmania major hypothetical protein, conserved 0.0046 0 0.5
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0046 0 0.5
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0129 0.2906 1
Schistosoma mansoni hypothetical protein 0.0129 0.2906 0.5211
Leishmania major hypothetical protein, conserved 0.0046 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0046 0 0.5
Brugia malayi brahma associated protein 60 kDa 0.0129 0.2906 0.3452
Schistosoma mansoni hypothetical protein 0.0205 0.5578 1
Schistosoma mansoni survival motor neuron protein 0.0058 0.044 0.0788
Schistosoma mansoni brg-1 associated factor 0.0129 0.2906 0.5211
Chlamydia trachomatis SWIB complex protein 0.0129 0.2906 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0046 0 0.5
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0129 0.2906 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0046 0 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.8418 0.8418
Echinococcus multilocularis SWI:SNF matrix associated 0.0129 0.2906 0.2906
Schistosoma mansoni hypothetical protein 0.0205 0.5578 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0129 0.2906 0.3452
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0129 0.2906 0.3452
Loa Loa (eye worm) hypothetical protein 0.0048 0.0094 0.0112
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0129 0.2906 0.2906
Echinococcus multilocularis tumor protein p63 0.0331 1 1
Echinococcus granulosus geminin 0.0205 0.5578 0.5578
Echinococcus multilocularis SWI:SNF matrix associated 0.0129 0.2906 0.2906
Echinococcus granulosus SWI:SNF matrix associated 0.0129 0.2906 0.2906
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0129 0.2906 0.2906
Onchocerca volvulus 0.0058 0.044 0.1513
Loa Loa (eye worm) brahma associated protein 0.0129 0.2906 0.3452
Trichomonas vaginalis conserved hypothetical protein 0.0129 0.2906 0.5
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0094 0.0168
Onchocerca volvulus 0.0048 0.0094 0.0323
Trypanosoma cruzi WLM domain containing protein, putative 0.0046 0 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0046 0 0.5
Schistosoma mansoni hypothetical protein 0.0129 0.2906 0.5211
Echinococcus multilocularis SWI:SNF matrix associated 0.0129 0.2906 0.2906
Trypanosoma cruzi hypothetical protein, conserved 0.0046 0 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0046 0 0.5
Leishmania major hypothetical protein, conserved 0.0046 0 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0046 0 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0129 0.2906 0.5
Schistosoma mansoni hypothetical protein 0.0129 0.2906 0.5211
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0046 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.8418 0.8418
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0129 0.2906 0.5
Leishmania major hypothetical protein, conserved 0.0046 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0286 0.8418 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 71.473 uM PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for activators of the calcium sensitivity of cardiac Regulated Thin Filaments (RTF). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493008, AID493018, AID504382, AID504383] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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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