Detailed information for compound 1220298

Basic information

Technical information
  • TDR Targets ID: 1220298
  • Name: N,N-dicyclohexyl-2,6-difluorobenzamide
  • MW: 321.405 | Formula: C19H25F2NO
  • H donors: 0 H acceptors: 1 LogP: 5.2 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(F)cccc1F)N(C1CCCCC1)C1CCCCC1
  • InChi: 1S/C19H25F2NO/c20-16-12-7-13-17(21)18(16)19(23)22(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h7,12-15H,1-6,8-11H2
  • InChiKey: JSPWFVMOAARJJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-dicyclohexyl-2,6-difluoro-benzamide
  • MLS001163500
  • SMR000496772
  • Oprea1_713484
  • ZINC00444422

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.2029 0.362
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1765 0.3137
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0402 0.0647
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0245 0.0359
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.1535 0.2718
Echinococcus multilocularis Aminotransferase class III 0.0021 0.0127 0.0144
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0021 0.0127 0.5
Mycobacterium ulcerans hypothetical protein 0.0149 0.4884 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0626 0.1056
Echinococcus multilocularis muscleblind protein 1 0.0146 0.4788 0.8662
Giardia lamblia Fructose-bisphosphate aldolase 0.0286 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0161 0.5343 0.9677
Brugia malayi Bromodomain containing protein 0.0033 0.0554 0.0924
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.1665 0.3232
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.1665 0.2954
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1162 0.2037
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0245 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.2029 0.362
Entamoeba histolytica hypothetical protein 0.0072 0.2029 0.1829
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1765 0.3137
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.4547 0.9291
Entamoeba histolytica hypothetical protein 0.0072 0.2029 0.1829
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0626 0.1056
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1582 0.2804
Schistosoma mansoni hypothetical protein 0.0072 0.2029 0.362
Loa Loa (eye worm) hypothetical protein 0.0146 0.4788 0.8668
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.1156 0.6689
Brugia malayi Muscleblind-like protein 0.0146 0.4788 0.8668
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0402 0.2676
Schistosoma mansoni hypothetical protein 0.0041 0.0872 0.1505
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.1156 0.6689
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1665 0.2954
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Schistosoma mansoni jumonji domain containing protein 0.0074 0.2106 0.3761
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.2822 0.5069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1665 0.3232
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.1665 0.2954
Echinococcus granulosus peregrin 0.0033 0.0554 0.0923
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0402 0.179
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0127 0.0144
Schistosoma mansoni hypothetical protein 0.0166 0.552 1
Schistosoma mansoni hypothetical protein 0.0029 0.0402 0.0647
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.1004 0.0627
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.1665 0.2954
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0402 0.179
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Brugia malayi TAR-binding protein 0.0065 0.1765 0.3139
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 1 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0402 0.0647
Brugia malayi RNA binding protein 0.0065 0.1765 0.3139
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Brugia malayi jmjC domain containing protein 0.0035 0.0626 0.1056
Entamoeba histolytica hypothetical protein 0.0072 0.2029 0.1829
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.2822 0.5069
Brugia malayi hypothetical protein 0.0087 0.2597 0.4661
Echinococcus granulosus muscleblind protein 0.0146 0.4788 0.8662
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.1156 0.2023
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0149 0.4884 1
Schistosoma mansoni hypothetical protein 0.0166 0.552 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1582 0.2804
Loa Loa (eye worm) hypothetical protein 0.0146 0.4788 0.8668
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1765 0.3137
Echinococcus granulosus geminin 0.0166 0.552 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0626 0.1056
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0402 0.0647
Onchocerca volvulus Alhambra homolog 0.0029 0.0402 0.5
Brugia malayi PHD-finger family protein 0.0029 0.0402 0.0647
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0245 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0872 0.1506
Entamoeba histolytica hypothetical protein 0.0072 0.2029 0.1829
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0626 0.1056
Loa Loa (eye worm) hypothetical protein 0.0029 0.0402 0.0647
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0245 0.0359
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.1156 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.4547 0.9291
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0819 0.1408
Echinococcus granulosus tar DNA binding protein 0.0065 0.1765 0.3137
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0021 0.0127 0.5
Brugia malayi hypothetical protein 0.0072 0.2029 0.3622
Echinococcus granulosus Aminotransferase class III 0.0021 0.0127 0.0144
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1765 0.3137
Brugia malayi acetyltransferase, GNAT family protein 0.0166 0.5516 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2597 0.4661
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1582 0.2804
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1765 0.3139
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.4547 0.9291
Echinococcus multilocularis geminin 0.0166 0.552 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.1156 0.0933
Plasmodium falciparum phd finger protein, putative 0.0029 0.0402 0.3137
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0166 0.5516 0.9993
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0021 0.0127 0.0144
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.1004 0.0778
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0626 0.1056
Echinococcus multilocularis muscleblind protein 0.0146 0.4788 0.8662
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.1665 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0872 0.1506
Echinococcus granulosus jumonji domain containing protein 0.004 0.0819 0.1408
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0149 0.4884 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.1765 0.3139
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0402 0.0647
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.1665 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1765 0.3139
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1765 0.3139
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0149 0.4884 0.4755
Echinococcus granulosus ornithine aminotransferase 0.0021 0.0127 0.0144
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0166 0.5516 0.9993
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0245 0.0359
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1765 0.3137
Brugia malayi jmjC domain containing protein 0.0093 0.2822 0.5072
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.2029 0.362
Echinococcus multilocularis ornithine aminotransferase 0.0021 0.0127 0.0144
Loa Loa (eye worm) hypothetical protein 0.0021 0.0118 0.0127
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.1156 0.0933
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0149 0.4884 1
Mycobacterium tuberculosis Probable aminotransferase 0.0149 0.4884 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2597 0.4661
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0118 0.4823
Loa Loa (eye worm) hypothetical protein 0.006 0.1582 0.2804
Schistosoma mansoni eyes absent homolog 0.0087 0.2597 0.4658
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1665 0.3232
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0245 0.0359
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0245 0.0766
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0021 0.0127 0.0144
Treponema pallidum fructose-bisphosphate aldolase 0.0286 1 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1765 0.3137
Loa Loa (eye worm) acetyltransferase 0.0166 0.5516 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.1004 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.1665 0.3232
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 1 1
Echinococcus multilocularis peregrin 0.0033 0.0554 0.0923

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1651 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] 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) 10 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 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
Plasmodium falciparum ChEMBL23
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.