Detailed information for compound 1458424

Basic information

Technical information
  • TDR Targets ID: 1458424
  • Name: N-(2,4-dimethylphenyl)sulfonyl-5-(4-phenylphe nyl)furan-2-carboxamide
  • MW: 431.504 | Formula: C25H21NO4S
  • H donors: 1 H acceptors: 3 LogP: 5.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)S(=O)(=O)NC(=O)c1ccc(o1)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C25H21NO4S/c1-17-8-15-24(18(2)16-17)31(28,29)26-25(27)23-14-13-22(30-23)21-11-9-20(10-12-21)19-6-4-3-5-7-19/h3-16H,1-2H3,(H,26,27)
  • InChiKey: YCKKDVRWNUMVGL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,4-dimethylphenyl)sulfonyl-5-(4-phenylphenyl)-2-furancarboxamide
  • N-(2,4-dimethylphenyl)sulfonyl-5-(4-phenylphenyl)-2-furamide
  • MLS000518268
  • KUC100040
  • SMR000129122

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens calcium channel, voltage-dependent, T type, alpha 1H subunit Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog Get druggable targets OG5_129328 All targets in OG5_129328
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129328 All targets in OG5_129328
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis geminin 0.0205 0.8203 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0526 0.0547
Brugia malayi jmjC domain containing protein 0.0034 0.0526 0.0295
Schistosoma mansoni hypothetical protein 0.014 0.5283 0.6441
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0214 0.8634 0.9967
Plasmodium vivax JmjC domain containing protein 0.0034 0.0526 1
Schistosoma mansoni jumonji domain containing protein 0.0034 0.0526 0.0642
Schistosoma mansoni protein phosphatase 2C 0.0034 0.0526 0.0642
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.4889 0.596
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.014 0.5283 1
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0034 0.0526 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0526 0.0547
Echinococcus multilocularis lysine specific demethylase 5A 0.0129 0.4789 0.5839
Plasmodium falciparum JmjC domain-containing protein, putative 0.0034 0.0526 0.5
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0034 0.0526 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.1257 0.1533
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0037 0.0626 0.0763
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0526 0.0547
Brugia malayi jmjC domain containing protein 0.0131 0.4889 0.55
Schistosoma mansoni jumonji domain containing protein 0.0129 0.4789 0.5839
Echinococcus multilocularis muscleblind protein 1 0.018 0.711 0.8668
Brugia malayi jmjC domain containing protein 0.0034 0.0526 0.0295
Brugia malayi jmjC domain containing protein 0.0034 0.0526 0.0295
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0034 0.0526 0.0642
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.1257 0.1533
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.014 0.5283 0.6441
Schistosoma mansoni hypothetical protein 0.0205 0.8203 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.1257 0.1533
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0155 0.0189
Giardia lamblia Rrm3p helicase 0.014 0.5283 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0526 0.0547
Echinococcus granulosus jumonji domain containing 1A 0.0034 0.0526 0.0642
Echinococcus granulosus JmjC domain containing protein 4 0.0034 0.0526 0.0642
Loa Loa (eye worm) hypothetical protein 0.0082 0.2675 0.3044
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.1257 0.1533
Loa Loa (eye worm) hypothetical protein 0.0214 0.8634 0.9968
Loa Loa (eye worm) hypothetical protein 0.0051 0.1257 0.1397
Brugia malayi Bromodomain containing protein 0.0044 0.0979 0.0835
Loa Loa (eye worm) hypothetical protein 0.0034 0.0526 0.0547
Loa Loa (eye worm) hypothetical protein 0.018 0.711 0.8197
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.014 0.5283 1
Brugia malayi jmjC domain containing protein 0.0034 0.0526 0.0295
Loa Loa (eye worm) hypothetical protein 0.0045 0.0983 0.1078
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0129 0.4789 0.5839
Echinococcus multilocularis JmjC domain containing protein 4 0.0034 0.0526 0.0642
Schistosoma mansoni phd/f-box containing protein 0.0034 0.0526 0.0642
Loa Loa (eye worm) hypothetical protein 0.0049 0.1207 0.1338
Echinococcus granulosus lysine specific demethylase 5A 0.0131 0.4889 0.596
Loa Loa (eye worm) hypothetical protein 0.018 0.711 0.8197
Trichomonas vaginalis set domain proteins, putative 0.0244 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0208 0.837 0.6544
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.8662 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0365 0.0445
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0042 0.0855 0.1043
Echinococcus multilocularis phd:f box containing protein 0.0034 0.0526 0.0642
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0365 0.0445
Echinococcus multilocularis muscleblind protein 0.018 0.711 0.8668
Echinococcus granulosus geminin 0.0205 0.8203 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0155 0.0189
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0365 0.0445
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0129 0.4789 0.5839
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0069 0.2099 0.2558
Entamoeba histolytica DNA repair and recombination protein, putative 0.014 0.5283 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.0055 0.0067
Echinococcus multilocularis lysine specific demethylase 6a 0.0034 0.0526 0.0642
Brugia malayi jmjC domain containing protein 0.0129 0.4789 0.538
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0069 0.2099 0.2558
Echinococcus granulosus lysine specific demethylase 6a 0.0034 0.0526 0.0642
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0042 0.0855 0.1043
Echinococcus granulosus phd:f box containing protein 0.0034 0.0526 0.0642
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.014 0.5283 0.6441
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0037 0.0626 0.0763
Echinococcus granulosus muscleblind protein 0.018 0.711 0.8668
Loa Loa (eye worm) jmjC domain-containing protein 0.0131 0.4889 0.5616
Entamoeba histolytica hypothetical protein, conserved 0.014 0.5283 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.014 0.5283 1
Brugia malayi Muscleblind-like protein 0.018 0.711 0.8149
Schistosoma mansoni bromodomain containing protein 0.0073 0.2286 0.2787
Loa Loa (eye worm) hypothetical protein 0.0047 0.1107 0.1222
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.014 0.5283 1
Brugia malayi Bromodomain containing protein 0.0087 0.2899 0.3125
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0314 0.0383
Schistosoma mansoni hypothetical protein 0.0205 0.8203 1
Brugia malayi Pre-SET motif family protein 0.0031 0.0365 0.0103
Schistosoma mansoni jumonji/arid domain-containing protein 0.0131 0.4889 0.596
Brugia malayi Pre-SET motif family protein 0.0215 0.8662 1
Echinococcus multilocularis jumonji domain containing 1A 0.0034 0.0526 0.0642
Schistosoma mansoni phosphatidylserine receptor 0.0034 0.0526 0.0642
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0155 0.0189
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.014 0.5283 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0526 0.0547
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.014 0.5283 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.014 0.5283 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 3.33 uM PUBCHEM_BIOASSAY: Inhibitors of T-Type Calcium Channel. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID449739, AID463087, AID493021, AID493022, AID493023, AID493041, AID504579, AID504584, AID504619, AID504628] ChEMBL. No reference
Potency (binding) 1.122 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0596 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1476 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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