Detailed information for compound 1408457

Basic information

Technical information
  • TDR Targets ID: 1408457
  • Name: 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5- fluoro-2-methylphenyl)benzamide
  • MW: 469.348 | Formula: C18H14BrFN2O3S2
  • H donors: 2 H acceptors: 3 LogP: 4.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)NC(=O)c1ccc(cc1)NS(=O)(=O)c1ccc(s1)Br)C
  • InChi: 1S/C18H14BrFN2O3S2/c1-11-2-5-13(20)10-15(11)21-18(23)12-3-6-14(7-4-12)22-27(24,25)17-9-8-16(19)26-17/h2-10,22H,1H3,(H,21,23)
  • InChiKey: RMAFLEQNHOIJDH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[(5-bromo-2-thienyl)sulfonylamino]-N-(5-fluoro-2-methyl-phenyl)benzamide
  • 4-[(5-bromo-2-thienyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)benzamide
  • 4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(5-fluoro-2-methyl-phenyl)benzamide
  • T5214958
  • MLS000394837
  • SMR000242944
  • ZINC03325263

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens phosphatidylinositol-5-phosphate 4-kinase, type II, alpha 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis musashi 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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
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
Loa Loa (eye worm) hypothetical protein 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Pip kinase protein 2 Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00889 1-phosphatidylinositol-4-phosphate 5-kinase [EC2.7.1.68], putative Get druggable targets OG5_131617 All targets in OG5_131617
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) pip kinase 2 Get druggable targets OG5_131617 All targets in OG5_131617
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131617 All targets in OG5_131617
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_131617 All targets in OG5_131617
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II Get druggable targets OG5_131617 All targets in OG5_131617
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma brucei phosphatidylinositol phosphate kinase alpha phosphatidylinositol-5-phosphate 4-kinase, type II, alpha 406 aa 341 aa 32.0 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lamin 0.0033 0.0808 0.0728
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.9554 0.9551
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.3096
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3155 0.3096
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0808 0.0845
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.9554 0.9551
Echinococcus granulosus lamin dm0 0.0033 0.0808 0.0728
Loa Loa (eye worm) RNA binding protein 0.0076 0.3155 0.3302
Echinococcus granulosus tar DNA binding protein 0.0076 0.3155 0.3096
Schistosoma mansoni lamin 0.0033 0.0808 0.0728
Echinococcus granulosus intermediate filament protein 0.0033 0.0808 0.0728
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2284 0.2391
Loa Loa (eye worm) hypothetical protein 0.0019 0.0086 0.009
Echinococcus multilocularis musashi 0.0033 0.0808 0.0728
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2284 0.2391
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3155 0.3302
Loa Loa (eye worm) hypothetical protein 0.0041 0.1267 0.1326
Loa Loa (eye worm) hypothetical protein 0.0033 0.0808 0.0845
Schistosoma mansoni intermediate filament proteins 0.0033 0.0808 0.0728
Schistosoma mansoni lamin 0.0033 0.0808 0.0728
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0196 0.9554 0.9551
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.3096
Echinococcus multilocularis lamin 0.0033 0.0808 0.0728
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.3096
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0808 0.0845
Brugia malayi intermediate filament protein 0.0033 0.0808 0.0845
Brugia malayi TAR-binding protein 0.0076 0.3155 0.3302
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3155 0.3302
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0808 0.0845
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0086 0.009
Brugia malayi Pip kinase protein 2 0.0196 0.9554 1
Echinococcus multilocularis lamin dm0 0.0033 0.0808 0.0728
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.3096
Loa Loa (eye worm) pip kinase 2 0.0196 0.9554 1
Loa Loa (eye worm) hypothetical protein 0.0196 0.9554 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0086 0.009
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3155 0.3302
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0196 0.9554 0.9551
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1267 0.1326
Loa Loa (eye worm) hypothetical protein 0.0032 0.0776 0.0812
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3155 0.3096
Schistosoma mansoni hypothetical protein 0.0041 0.1267 0.1191
Brugia malayi RNA binding protein 0.0076 0.3155 0.3302
Onchocerca volvulus 0.0196 0.9554 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0086 0.009
Loa Loa (eye worm) hypothetical protein 0.006 0.2284 0.2391
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2284 0.2391

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5131 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of PI5P4K: Confirmation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) = 31.6228 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) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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