Detailed information for compound 1364966

Basic information

Technical information
  • TDR Targets ID: 1364966
  • Name: N-[4-(diethylsulfamoyl)phenyl]-5-methyl-3-phe nyl-1,2-oxazole-4-carboxamide
  • MW: 413.49 | Formula: C21H23N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)NC(=O)c1c(C)onc1c1ccccc1)CC
  • InChi: 1S/C21H23N3O4S/c1-4-24(5-2)29(26,27)18-13-11-17(12-14-18)22-21(25)19-15(3)28-23-20(19)16-9-7-6-8-10-16/h6-14H,4-5H2,1-3H3,(H,22,25)
  • InChiKey: FQPYBFCVUXWDHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(diethylsulfamoyl)phenyl]-5-methyl-3-phenyl-isoxazole-4-carboxamide
  • N-[4-(diethylsulfamoyl)phenyl]-5-methyl-3-phenyl-4-isoxazolecarboxamide
  • BAS 06980826
  • SMR000092282
  • 5-Methyl-3-phenyl-isoxazole-4-carboxylic acid (4-diethylsulfamoyl-phenyl)-amide
  • ST5281775
  • MLS000115027

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii kinesin motor domain-containing protein 0.0052 0.1143 0.9387
Loa Loa (eye worm) hypothetical protein 0.0032 0.0638 0.0855
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0315 0.03
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0232 0.0216
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0926 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0926 0.0912
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0315 0.03
Onchocerca volvulus 0.0033 0.0653 0.0334
Mycobacterium tuberculosis Conserved protein 0.0043 0.0926 0.0796
Mycobacterium tuberculosis Conserved protein 0.0043 0.0926 0.0796
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0315 0.03
Plasmodium falciparum kinesin-5 0.0052 0.1143 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0926 0.0796
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0315 0.03
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0926 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0926 0.1279
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0926 0.0796
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.1904 0.1891
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1345 0.19
Loa Loa (eye worm) beta-lactamase 0.0043 0.0926 0.1279
Schistosoma mansoni hypothetical protein 0.0406 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0926 0.0912
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1345 0.19
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0926 0.0912
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.1904 0.1891
Onchocerca volvulus 0.0043 0.0926 0.1232
Leishmania major hypothetical protein, conserved 0.0043 0.0926 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0926 0.6579
Trichomonas vaginalis esterase, putative 0.0043 0.0926 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0926 0.1279
Loa Loa (eye worm) hypothetical protein 0.0019 0.0315 0.0378
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0926 0.5
Echinococcus granulosus GPCR family 2 0.0019 0.0315 0.03
Loa Loa (eye worm) hypothetical protein 0.0015 0.0217 0.0233
Brugia malayi follicle stimulating hormone receptor 0.028 0.6838 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0315 0.03
Schistosoma mansoni hypothetical protein 0.0019 0.0315 0.03
Echinococcus granulosus intermediate filament protein 0.0033 0.0653 0.0639
Loa Loa (eye worm) hypothetical protein 0.0043 0.0926 0.1279
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.1352 0.1338
Onchocerca volvulus 0.0083 0.1904 0.4447
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Loa Loa (eye worm) kinesin-like protein KLP2 0.0052 0.1143 0.1599
Schistosoma mansoni hypothetical protein 0.0205 0.4959 0.4951
Loa Loa (eye worm) hypothetical protein 0.0016 0.0232 0.0255
Brugia malayi beta-lactamase 0.0043 0.0926 0.1283
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0926 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.1904 0.1891
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0653 0.0877
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1345 0.1897
Entamoeba histolytica kinesin, putative 0.0052 0.1143 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0653 0.0877
Echinococcus multilocularis kinesin family 1 0.0401 0.988 0.988
Onchocerca volvulus 0.0043 0.0926 0.1232
Mycobacterium ulcerans beta-lactamase 0.0043 0.0926 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0868 0.1197
Plasmodium vivax kinesin-5 0.0052 0.1143 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0926 0.0912
Echinococcus multilocularis lamin 0.0033 0.0653 0.0639
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0926 0.0796
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0926 0.0796
Schistosoma mansoni hypothetical protein 0.0349 0.8576 0.8573
Loa Loa (eye worm) hypothetical protein 0.0033 0.0653 0.0877
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.1904 0.2725
Loa Loa (eye worm) hypothetical protein 0.0015 0.0217 0.0233
Schistosoma mansoni hypothetical protein 0.0019 0.0315 0.03
Schistosoma mansoni hypothetical protein 0.0205 0.4959 0.4951
Schistosoma mansoni intermediate filament proteins 0.0033 0.0653 0.0639
Schistosoma mansoni hypothetical protein 0.0019 0.0315 0.03
Echinococcus multilocularis dnaJ subfamily B 0.0406 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.679 1
Onchocerca volvulus 0.0043 0.0926 0.1232
Echinococcus granulosus kinesin family 1 0.0401 0.988 0.988
Mycobacterium ulcerans hypothetical protein 0.0043 0.0926 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0926 0.0796
Echinococcus multilocularis geminin 0.0205 0.4959 0.4951
Echinococcus granulosus lamin dm0 0.0033 0.0653 0.0639
Brugia malayi intermediate filament protein 0.0033 0.0653 0.088
Loa Loa (eye worm) hypothetical protein 0.006 0.1345 0.1897
Brugia malayi hypothetical protein 0.015 0.3592 0.5214
Onchocerca volvulus 0.0033 0.0653 0.0334
Schistosoma mansoni lamin 0.0033 0.0653 0.0639
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0315 0.0382
Brugia malayi Kinesin motor domain containing protein 0.0052 0.1143 0.1602
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.0419 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0926 1
Brugia malayi beta-lactamase family protein 0.0043 0.0926 0.1283
Brugia malayi CXXC zinc finger family protein 0.0029 0.0552 0.0731
Loa Loa (eye worm) hypothetical protein 0.0043 0.0926 0.1279
Loa Loa (eye worm) hypothetical protein 0.0041 0.0868 0.1194
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0926 0.0796
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.119 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0926 1
Schistosoma mansoni cpg binding protein 0.0029 0.0552 0.0537
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0315 0.0378
Schistosoma mansoni cpg binding protein 0.003 0.0593 0.0578
Echinococcus granulosus geminin 0.0205 0.4959 0.4951
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0232 0.0216
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0315 0.0382
Schistosoma mansoni hypothetical protein 0.0019 0.0315 0.03
Echinococcus granulosus lamin 0.0033 0.0653 0.0639
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0926 1
Onchocerca volvulus 0.015 0.3592 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0275 0.0318
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0419 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0868 0.0854
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0926 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0926 0.1279
Brugia malayi beta-lactamase family protein 0.0043 0.0926 0.1283
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0926 0.1283
Giardia lamblia Kinesin-5 0.0052 0.1143 0.5
Schistosoma mansoni cpg binding protein 0.003 0.0593 0.0578
Mycobacterium ulcerans lipase LipD 0.0043 0.0926 1
Schistosoma mansoni lamin 0.0033 0.0653 0.0639
Loa Loa (eye worm) hypothetical protein 0.0083 0.1904 0.2722
Loa Loa (eye worm) follicle stimulating hormone receptor 0.028 0.6838 1
Echinococcus multilocularis musashi 0.0033 0.0653 0.0639
Echinococcus multilocularis cpg binding protein 0.003 0.0593 0.0578
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0926 0.0796
Echinococcus multilocularis lamin dm0 0.0033 0.0653 0.0639
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0926 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0926 1
Echinococcus granulosus cpg binding protein 0.003 0.0593 0.0578
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0926 0.0796
Mycobacterium leprae Probable lipase LipE 0.0043 0.0926 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0275 0.0322
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0926 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0653 0.088
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0552 0.0727
Schistosoma mansoni kinesin eg-5 0.0052 0.1143 0.1129
Loa Loa (eye worm) hypothetical protein 0.015 0.3592 0.5213
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0044
Loa Loa (eye worm) hypothetical protein 0.0043 0.0926 0.1279
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0419 0.5
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0926 0.7008
Loa Loa (eye worm) hypothetical protein 0.0043 0.0926 0.1279

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.5849 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) 4.6109 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 29.0929 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) 79.4328 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
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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