Detailed information for compound 1501660

Basic information

Technical information
  • TDR Targets ID: 1501660
  • Name: N-[5-(ethyl-phenylsulfamoyl)-2-methoxyphenyl] -2-(2-methoxyphenyl)acetamide
  • MW: 454.539 | Formula: C24H26N2O5S
  • H donors: 1 H acceptors: 3 LogP: 3.71 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)Cc1ccccc1OC)S(=O)(=O)N(c1ccccc1)CC
  • InChi: 1S/C24H26N2O5S/c1-4-26(19-11-6-5-7-12-19)32(28,29)20-14-15-23(31-3)21(17-20)25-24(27)16-18-10-8-9-13-22(18)30-2/h5-15,17H,4,16H2,1-3H3,(H,25,27)
  • InChiKey: PXSXPJLXANCRPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(ethyl-phenyl-sulfamoyl)-2-methoxy-phenyl]-2-(2-methoxyphenyl)acetamide
  • N-[5-(ethyl-phenyl-sulfamoyl)-2-methoxy-phenyl]-2-(2-methoxyphenyl)ethanamide
  • T5523008

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0195 0.5136 0.5136
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0248 0.717 1
Schistosoma mansoni jun-related protein 0.0202 0.5396 0.9717
Brugia malayi bHLH-PAS transcription factor 0.0071 0.0415 0.0415
Schistosoma mansoni hypothetical protein 0.0205 0.5513 1
Brugia malayi hypoxia-induced factor 1 0.0297 0.9047 0.9047
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8306 0.5
Brugia malayi PAS domain containing protein 0.0096 0.1368 0.1368
Onchocerca volvulus 0.0195 0.5136 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0248 0.717 1
Loa Loa (eye worm) hypothetical protein 0.0322 1 1
Brugia malayi bZIP transcription factor family protein 0.0248 0.717 0.717
Schistosoma mansoni hypothetical protein 0.0205 0.5513 1
Echinococcus multilocularis jun protein 0.0248 0.717 1
Loa Loa (eye worm) hypothetical protein 0.0241 0.691 0.691
Mycobacterium ulcerans putative regulatory protein 0.0071 0.0415 0.5
Schistosoma mansoni hypothetical protein 0.0202 0.5396 0.9717
Echinococcus granulosus jun protein 0.0248 0.717 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0297 0.9047 0.9047
Echinococcus granulosus geminin 0.0205 0.5513 0.7548
Echinococcus multilocularis geminin 0.0205 0.5513 0.7548

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0326 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) = 0.631 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) 1 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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) 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) 13.1154 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

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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