Detailed information for compound 1223140

Basic information

Technical information
  • TDR Targets ID: 1223140
  • Name: N-(9-phenylsulfonyl-9-azabicyclo[3.3.1]nonan- 7-yl)cyclohexanecarboxamide
  • MW: 390.54 | Formula: C21H30N2O3S
  • H donors: 1 H acceptors: 3 LogP: 4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCCCC1)NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1
  • InChi: 1S/C21H30N2O3S/c24-21(16-8-3-1-4-9-16)22-17-14-18-10-7-11-19(15-17)23(18)27(25,26)20-12-5-2-6-13-20/h2,5-6,12-13,16-19H,1,3-4,7-11,14-15H2,(H,22,24)
  • InChiKey: PDHRLHYCHUFPJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • SMR000124504
  • ASN 06233446
  • Cyclohexanecarboxylic acid (9-benzenesulfonyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide
  • MLS000123959

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative 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 cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative 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
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni alpha-glucosidase 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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose 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
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0815 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0815 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1807 0.1807
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1807 0.1807
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0664 0.0664
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2521 0.1872
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0815 0.5
Schistosoma mansoni alpha-glucosidase 0.0169 0.8356 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0975 0.0333
Trypanosoma brucei glucosidase, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0815 0.0161
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1807 0.1224
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0815 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Onchocerca volvulus 0.0114 0.5023 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0815 0.0815
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0815 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0815 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0815 0.5
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0815 0.0017
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 1 1
Schistosoma mansoni alpha glucosidase 0.0044 0.0815 0.0195
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0815 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 1 1
Brugia malayi Bromodomain containing protein 0.0091 0.3629 0.3629
Schistosoma mansoni alpha-glucosidase 0.0169 0.8356 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1147 0.0517
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 1 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1285 0.0665
Brugia malayi Bromodomain containing protein 0.0046 0.097 0.097
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.278 0.2751
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2521 0.1872
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0815 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0815 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.3319 0.2844
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0815 0.0017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1807 0.1224

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 7.0795 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) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 28.1838 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) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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