Detailed information for compound 1380263

Basic information

Technical information
  • TDR Targets ID: 1380263
  • Name: (2-piperidin-1-ylphenyl) N-[4-(trifluorometho xy)phenyl]carbamate
  • MW: 380.361 | Formula: C19H19F3N2O3
  • H donors: 1 H acceptors: 1 LogP: 5.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1ccccc1N1CCCCC1)Nc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C19H19F3N2O3/c20-19(21,22)27-15-10-8-14(9-11-15)23-18(25)26-17-7-3-2-6-16(17)24-12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13H2,(H,23,25)
  • InChiKey: NSJJLKSWQVDBPB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(1-piperidyl)phenyl] N-[4-(trifluoromethoxy)phenyl]carbamate
  • N-[4-(trifluoromethoxy)phenyl]carbamic acid [2-(1-piperidyl)phenyl] ester
  • N-[4-(trifluoromethoxy)phenyl]carbamic acid (2-piperidinophenyl) ester
  • 2-piperidinophenyl N-[4-(trifluoromethoxy)phenyl]carbamate
  • MLS000861873
  • SMR000460657
  • ZINC01046258

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0124 0.0124
Schistosoma mansoni regulator of G protein signaling 0.0203 0.0861 0.0811
Echinococcus granulosus regulator of G protein signaling 3 0.0203 0.0861 0.0891
Loa Loa (eye worm) RGS-3 protein 0.0203 0.0861 0.0861
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0203 0.0861 0.0861
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.1829 0.8987 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0147 0.0094
Schistosoma mansoni serine/threonine protein kinase 0.0208 0.0885 0.0836
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.1829 0.8987 0.8987
Brugia malayi regulator of G-protein signaling egl-10 0.0203 0.0861 0.0861
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0147 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0208 0.0885 0.0885
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0058 0.0137 0.008
Schistosoma mansoni axis inhibition protein axin 0.0203 0.0861 0.0811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0124 0.0065
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0831 0.0831
Brugia malayi Regulator of G protein signaling domain containing protein 0.0203 0.0861 0.0861
Schistosoma mansoni z-protein (S1r protein) 0.0203 0.0861 0.0811
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0831 0.0857
Brugia malayi PXA domain containing protein 0.0203 0.0861 0.0861
Echinococcus granulosus intestinal type alkaline phosphatase 0.016 0.065 0.0654
Echinococcus multilocularis regulator of G protein signaling 3 0.0203 0.0861 0.0891
Echinococcus granulosus regulator of G protein signaling 7 0.0203 0.0861 0.0891
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0147 0.5
Echinococcus multilocularis axis inhibition protein axin 0.0203 0.0861 0.0891
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0147 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0694 0.0644
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.1829 0.8987 0.8987
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0203 0.0861 0.0891
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0124 0.0065
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0568 0.0568
Schistosoma mansoni serine/threonine protein kinase 0.0208 0.0885 0.0836
Echinococcus multilocularis alkaline phosphatase 0.016 0.065 0.0654
Loa Loa (eye worm) hypothetical protein 0.0203 0.0861 0.0861
Schistosoma mansoni lipoxygenase 0.0058 0.0137 0.0084
Brugia malayi regulator of G-protein signaling rgs-7 0.0203 0.0861 0.0861
Entamoeba histolytica hypothetical protein 0.0203 0.0861 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0058 0.0137 0.008
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0831 0.0857
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Echinococcus multilocularis intestinal type alkaline phosphatase 0.016 0.065 0.0654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0124 0.0071
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0066 0.0066
Entamoeba histolytica hypothetical protein 0.0203 0.0861 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0124 0.0071
Echinococcus multilocularis beta adrenergic receptor kinase 0.0208 0.0885 0.0918
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0568 0.0568
Echinococcus multilocularis expressed protein 0.0203 0.0861 0.0891
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0124 0.0065
Echinococcus multilocularis axis inhibition protein axin 0.0203 0.0861 0.0891
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0203 0.0861 0.0811
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0054 0.0054
Echinococcus granulosus axis inhibition protein axin 0.0203 0.0861 0.0891
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0861 1
Echinococcus granulosus regulator of G protein signaling 7 0.0203 0.0861 0.0891
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0861 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.0208 0.0885 0.0918
Brugia malayi A-kinase anchor protein 10, precursor 0.0203 0.0861 0.0861
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.0203 0.0861 0.0861
Echinococcus granulosus alkaline phosphatase 0.016 0.065 0.0654
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.016 0.065 0.0654
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0203 0.0861 0.0811
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0147 0.0094
Loa Loa (eye worm) hypothetical protein 0.0203 0.0861 0.0861
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0066 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0694 0.0644
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.2032 1 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.016 0.065 0.0654
Schistosoma mansoni serine/threonine protein kinase 0.2032 1 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0203 0.0861 0.0891
Echinococcus multilocularis G protein coupled receptor kinase 6 0.1829 0.8987 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.1829 0.8987 0.8987
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0124 0.0071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0149 0.0149
Echinococcus granulosus axis inhibition protein axin 0.0203 0.0861 0.0891
Brugia malayi hypothetical protein 0.0203 0.0861 0.0861
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0861 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Schistosoma mansoni axis inhibition protein axin 0.0203 0.0861 0.0811
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0147 0.0091
Echinococcus multilocularis regulator of G protein signaling 7 0.0203 0.0861 0.0891
Schistosoma mansoni hypothetical protein 0.0083 0.0265 0.0212
Loa Loa (eye worm) hypothetical protein 0.0041 0.0054 0.0054
Loa Loa (eye worm) PXA domain-containing protein 0.0203 0.0861 0.0861
Schistosoma mansoni alkaline phosphatase 0.016 0.065 0.0599
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0066 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0203 0.0861 0.0811
Brugia malayi PXA domain containing protein 0.0203 0.0861 0.0861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0124 0.0065
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.016 0.065 0.0654
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.016 0.065 0.0654
Echinococcus granulosus regulator of G protein signaling 3 0.0203 0.0861 0.0891
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0861 1
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0861 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0203 0.0861 0.0891
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0066 0.0066
Entamoeba histolytica hypothetical protein 0.0203 0.0861 1
Schistosoma mansoni alkaline phosphatase 0.016 0.065 0.0599
Trichomonas vaginalis conserved hypothetical protein 0.0203 0.0861 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0149 0.0149
Trypanosoma brucei glucosidase, putative 0.0044 0.0066 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0066 0.0013
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0147 0.0091
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0831 0.0831
Schistosoma mansoni regulator of G protein signaling 0.0203 0.0861 0.0811
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0831 0.0857
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0147 0.5
Brugia malayi hypothetical protein 0.0203 0.0861 0.0861
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0147 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0203 0.0861 0.0891
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0203 0.0861 1
Loa Loa (eye worm) hypothetical protein 0.0203 0.0861 0.0861
Onchocerca volvulus 0.0114 0.0416 0.5
Echinococcus multilocularis regulator of G protein signaling 0.0203 0.0861 0.0891
Loa Loa (eye worm) hypothetical protein 0.0203 0.0861 0.0861
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0066 0.4499
Loa Loa (eye worm) hypothetical protein 0.006 0.0149 0.0149
Echinococcus granulosus expressed protein 0.0203 0.0861 0.0891
Schistosoma mansoni regulator of G protein signaling 0.0203 0.0861 0.0811
Brugia malayi MH2 domain containing protein 0.0144 0.0568 0.0568
Echinococcus multilocularis Regulator of G protein signaling 20 0.0203 0.0861 0.0891
Brugia malayi Regulator of G protein signaling domain containing protein 0.0203 0.0861 0.0861
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0203 0.0861 0.0891
Loa Loa (eye worm) hypothetical protein 0.0203 0.0861 0.0861
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0147 0.5
Schistosoma mansoni regulator of G protein signaling 0.0203 0.0861 0.0811
Schistosoma mansoni regulator of G protein signaling 0.0203 0.0861 0.0811
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0124 0.0124
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0066 0.4499

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.8445 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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