Detailed information for compound 1412966

Basic information

Technical information
  • TDR Targets ID: 1412966
  • Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan- 2-yl)phenyl]acetamide
  • MW: 301.185 | Formula: C11H9F6NO2
  • H donors: 2 H acceptors: 2 LogP: 2.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O
  • InChi: 1S/C11H9F6NO2/c1-6(19)18-8-4-2-7(3-5-8)9(20,10(12,13)14)11(15,16)17/h2-5,20H,1H3,(H,18,19)
  • InChiKey: HBGYOKOCPHASLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 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]ethanamide
  • T0501-2040
  • Enamine_000250
  • ZINC03196521
  • MLS001018288
  • SMR000354492

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 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
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 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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