Detailed information for compound 1417922

Basic information

Technical information
  • TDR Targets ID: 1417922
  • Name: N,N-diethyl-2-[(3-methoxydibenzofuran-2-yl)-( 4-methylphenyl)sulfonylamino]acetamide
  • MW: 480.576 | Formula: C26H28N2O5S
  • H donors: 0 H acceptors: 3 LogP: 4.97 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)CN(S(=O)(=O)c1ccc(cc1)C)c1cc2c(cc1OC)oc1c2cccc1)CC
  • InChi: 1S/C26H28N2O5S/c1-5-27(6-2)26(29)17-28(34(30,31)19-13-11-18(3)12-14-19)22-15-21-20-9-7-8-10-23(20)33-24(21)16-25(22)32-4/h7-16H,5-6,17H2,1-4H3
  • InChiKey: GNFLASLLRHZJQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-diethyl-2-[(3-methoxydibenzofuran-2-yl)-(4-methylphenyl)sulfonyl-amino]acetamide
  • N,N-diethyl-2-[(3-methoxy-2-dibenzofuranyl)-(4-methylphenyl)sulfonylamino]acetamide
  • N,N-diethyl-2-[(3-methoxydibenzofuran-2-yl)-(4-methylphenyl)sulfonyl-amino]ethanamide
  • SMR000162573
  • ZINC02184736
  • N,N-diethyl-2-{(3-methoxydibenzo[b,d]furan-2-yl)[(4-methylphenyl)sulfonyl]amino}acetamide
  • MLS000546225
  • AQ-384/41776459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0076 0.1033 0.1033
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0433 1 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.0205 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0205 0.0205
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0205 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0205 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0205 0.5
Brugia malayi beta-lactamase 0.0043 0.0205 0.0205
Echinococcus granulosus tar DNA binding protein 0.0135 0.2512 0.2512
Loa Loa (eye worm) hypothetical protein 0.0112 0.1923 0.1923
Trichomonas vaginalis esterase, putative 0.0043 0.0205 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0205 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0205 0.5
Loa Loa (eye worm) RNA binding protein 0.0135 0.2512 0.2512
Onchocerca volvulus 0.0043 0.0205 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0433 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0433 1 1
Loa Loa (eye worm) TAR-binding protein 0.0135 0.2512 0.2512
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0205 0.0205
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.1923 0.1923
Onchocerca volvulus 0.0043 0.0205 0.5
Onchocerca volvulus 0.0043 0.0205 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0205 0.0205
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0205 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0205 0.5
Leishmania major hypothetical protein, conserved 0.0043 0.0205 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.2512 0.2512
Loa Loa (eye worm) hypothetical protein 0.0043 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0043 0.0205 0.0205
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.2512 0.2512
Loa Loa (eye worm) hypothetical protein 0.0043 0.0205 0.0205
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0205 0.0205
Schistosoma mansoni tar DNA-binding protein 0.0135 0.2512 0.2512
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0205 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.2512 0.2512
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0205 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.1923 0.1923
Schistosoma mansoni hypothetical protein 0.0076 0.1033 0.1033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0205 0.0205
Schistosoma mansoni tar DNA-binding protein 0.0135 0.2512 0.2512
Mycobacterium ulcerans beta-lactamase 0.0043 0.0205 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.2512 0.2512
Mycobacterium ulcerans lipase LipD 0.0043 0.0205 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0433 1 1
Echinococcus multilocularis tar DNA binding protein 0.0135 0.2512 0.2512
Brugia malayi beta-lactamase family protein 0.0043 0.0205 0.0205
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.1033 0.1033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0433 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0205 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0205 0.0205
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0205 0.5
Brugia malayi TAR-binding protein 0.0135 0.2512 0.2512
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.1923 0.1923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0433 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0433 1 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0205 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0433 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0205 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0205 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0205 0.0205
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.2512 0.2512
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.6103 1
Brugia malayi RNA binding protein 0.0135 0.2512 0.2512
Loa Loa (eye worm) hypothetical protein 0.0043 0.0205 0.0205
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0205 0.0205
Loa Loa (eye worm) beta-lactamase 0.0043 0.0205 0.0205

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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) 11.6891 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 for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 30.1313 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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