Detailed information for compound 1345001

Basic information

Technical information
  • TDR Targets ID: 1345001
  • Name: 4-methoxy-N-[2-(oxolan-2-ylmethylsulfamoyl)et hyl]benzamide
  • MW: 342.411 | Formula: C15H22N2O5S
  • H donors: 2 H acceptors: 3 LogP: 0.68 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NCCS(=O)(=O)NCC1CCCO1
  • InChi: 1S/C15H22N2O5S/c1-21-13-6-4-12(5-7-13)15(18)16-8-10-23(19,20)17-11-14-3-2-9-22-14/h4-7,14,17H,2-3,8-11H2,1H3,(H,16,18)
  • InChiKey: IJFNGSJBEVYZSR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methoxy-N-[2-(tetrahydrofuran-2-ylmethylsulfamoyl)ethyl]benzamide
  • 4-methoxy-N-[2-(2-tetrahydrofuranylmethylsulfamoyl)ethyl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1752 0.3881 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0019
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1752 0.3881 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0068 0.0068
Loa Loa (eye worm) beta-lactamase 0.0043 0.0019 0.0019
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0068 0.0068
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0019 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0019
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0037 0.0037
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0019 0.0019
Brugia malayi beta-lactamase 0.0043 0.0019 0.0019
Loa Loa (eye worm) RNA binding protein 0.0065 0.0068 0.0068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0037 0.0037
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0019 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0019 0.0019
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.4459 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0037 0.0037
Brugia malayi TAR-binding protein 0.0065 0.0068 0.0068
Brugia malayi beta-lactamase family protein 0.0043 0.0019 0.0019
Mycobacterium ulcerans hypothetical protein 0.0043 0.0019 0.5
Trichomonas vaginalis esterase, putative 0.0043 0.0019 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0019 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0019 0.2798
Mycobacterium leprae Probable lipase LipE 0.0043 0.0019 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0019 0.2798
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0549 1
Brugia malayi beta-lactamase family protein 0.0043 0.0019 0.0019
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0019
Mycobacterium ulcerans lipase LipD 0.0043 0.0019 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0019 0.5
Toxoplasma gondii ABC1 family protein 0.0043 0.0019 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.0019 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0068 1
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0068 0.0068
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0019 0.5
Onchocerca volvulus 0.0043 0.0019 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0068 1
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0068 1
Leishmania major malonyl-coa decarboxylase-like protein 0.1752 0.3881 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0037 0.0037
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1752 0.3881 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.4459 1 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.0068 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0019 0.5
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0068 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0019
Onchocerca volvulus 0.0043 0.0019 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0019 0.0019
Onchocerca volvulus 0.0043 0.0019 0.5
Brugia malayi RNA binding protein 0.0065 0.0068 0.0068

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.5012 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) 0.5221 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) = 8.9125 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

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.

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