Detailed information for compound 1373489

Basic information

Technical information
  • TDR Targets ID: 1373489
  • Name: 2-(cyclohexyl-methylamino)-N-[4-(difluorometh ylsulfanyl)phenyl]acetamide
  • MW: 328.42 | Formula: C16H22F2N2OS
  • H donors: 1 H acceptors: 1 LogP: 4.44 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Sc1ccc(cc1)NC(=O)CN(C1CCCCC1)C)F
  • InChi: 1S/C16H22F2N2OS/c1-20(13-5-3-2-4-6-13)11-15(21)19-12-7-9-14(10-8-12)22-16(17)18/h7-10,13,16H,2-6,11H2,1H3,(H,19,21)
  • InChiKey: AFOJHGWQAFYEGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(cyclohexyl-methyl-amino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
  • 2-(cyclohexyl-methylamino)-N-[4-(difluoromethylthio)phenyl]acetamide
  • 2-(cyclohexyl-methyl-amino)-N-[4-(difluoromethylthio)phenyl]acetamide
  • 2-(cyclohexyl-methyl-amino)-N-[4-(difluoromethylsulfanyl)phenyl]ethanamide
  • MLS001032998
  • SMR000363556

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 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 granulosus survival motor neuron protein 1 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis 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
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
Leishmania major alpha glucosidase II subunit, putative 0.0328 0.0891 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0328 0.0891 1
Loa Loa (eye worm) hypothetical protein 0.097 0.4041 0.4041
Schistosoma mansoni alpha-glucosidase 0.1529 0.6786 0.6711
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0328 0.0891 0.1732
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0151 0.0019 0.0019
Trichomonas vaginalis glucosylceramidase, putative 0.0826 0.3334 0.6482
Trichomonas vaginalis glucosylceramidase, putative 0.1194 0.5143 1
Echinococcus granulosus bile acid beta glucosidase 0.1437 0.6333 0.6326
Schistosoma mansoni alpha-glucosidase 0.1529 0.6786 0.6711
Entamoeba histolytica glycogen debranching enzyme, putative 0.0151 0.0019 0.021
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0328 0.0891 1
Brugia malayi hypothetical protein 0.0286 0.0681 0.0681
Trichomonas vaginalis alpha-glucosidase, putative 0.0328 0.0891 0.1732
Echinococcus granulosus neutral alpha glucosidase AB 0.0328 0.0891 0.0874
Echinococcus multilocularis ceramide glucosyltransferase 0.2183 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0328 0.0891 0.1732
Echinococcus granulosus ceramide glucosyltransferase 0.2183 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0151 0.0019 0.0036
Trichomonas vaginalis alpha-glucosidase, putative 0.0328 0.0891 0.1732
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1194 0.5143 0.5143
Trichomonas vaginalis glucosylceramidase, putative 0.1194 0.5143 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0328 0.0891 0.1732
Trichomonas vaginalis glucosylceramidase, putative 0.1194 0.5143 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.0681 0.0681
Brugia malayi Glycosyl hydrolases family 31 protein 0.171 0.7677 0.7677
Trypanosoma cruzi hypothetical protein, conserved 0.0328 0.0891 1
Trichomonas vaginalis glucosylceramidase, putative 0.1194 0.5143 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0019 0.0019
Schistosoma mansoni bile acid beta-glucosidase-related 0.1437 0.6333 0.6247
Echinococcus multilocularis neutral alpha glucosidase AB 0.0328 0.0891 0.0874
Onchocerca volvulus 0.1027 0.4324 0.4324
Echinococcus granulosus lysosomal alpha glucosidase 0.171 0.7677 0.7673
Echinococcus granulosus non lysosomal glucosylceramidase 0.1437 0.6333 0.6326
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1194 0.5143 0.5143
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079
Trichomonas vaginalis alpha-glucosidase, putative 0.0328 0.0891 0.1732
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0328 0.0891 0.0891
Schistosoma mansoni alpha glucosidase 0.0328 0.0891 0.0677
Echinococcus multilocularis bile acid beta glucosidase 0.1437 0.6333 0.6326
Trichomonas vaginalis alpha-glucosidase, putative 0.0328 0.0891 0.1732
Echinococcus multilocularis lysosomal alpha glucosidase 0.171 0.7677 0.7673
Trichomonas vaginalis glucosylceramidase, putative 0.1194 0.5143 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0328 0.0891 0.1732
Schistosoma mansoni bile acid beta-glucosidase-related 0.1437 0.6333 0.6247
Echinococcus multilocularis lysosomal alpha glucosidase 0.171 0.7677 0.7673
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0328 0.0891 0.1732
Echinococcus multilocularis non lysosomal glucosylceramidase 0.1437 0.6333 0.6326
Giardia lamblia Ceramide glucosyltransferase 0.099 0.4139 1
Schistosoma mansoni ceramide glucosyltransferase 0.2183 1 1
Trypanosoma brucei glucosidase, putative 0.0328 0.0891 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.171 0.7677 0.7677
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0681 0.0664
Loa Loa (eye worm) ceramide glucosyltransferase 0.2183 1 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0151 0.0019 0.0036
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0328 0.0891 1
Trichomonas vaginalis glucosylceramidase, putative 0.0826 0.3334 0.6482
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079
Trichomonas vaginalis glucosylceramidase, putative 0.1194 0.5143 1
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.2183 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0328 0.0891 0.0891
Onchocerca volvulus Glucosylceramidase homolog 0.0784 0.3127 0.3127
Trypanosoma cruzi hypothetical protein, conserved 0.0328 0.0891 1
Schistosoma mansoni ceramide glucosyltransferase 0.2183 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0681 0.0664
Trichomonas vaginalis glucosylceramidase, putative 0.0784 0.3127 0.6079

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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 (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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