Detailed information for compound 1294222

Basic information

Technical information
  • TDR Targets ID: 1294222
  • Name: 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(3, 4-difluorophenyl)-2-fluorobenzamide
  • MW: 464.414 | Formula: C21H15F3N2O5S
  • H donors: 2 H acceptors: 3 LogP: 3.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1C(=O)Nc1ccc(c(c1)F)F)S(=O)(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C21H15F3N2O5S/c22-16-5-3-14(9-15(16)21(27)26-13-2-4-17(23)18(24)8-13)32(28,29)25-10-12-1-6-19-20(7-12)31-11-30-19/h1-9,25H,10-11H2,(H,26,27)
  • InChiKey: PTFSEQBCFFQJLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(1,3-benzodioxol-5-ylmethylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluoro-benzamide
  • K781-8070
  • NCGC00139573-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.9119 0.9119
Loa Loa (eye worm) transcription factor SMAD2 0.0366 0.3843 0.3843
Loa Loa (eye worm) isocitrate dehydrogenase 0.0051 0.0298 0.0298
Brugia malayi isocitrate dehydrogenase 0.0051 0.0298 0.0298
Plasmodium falciparum ataxin-2 like protein, putative 0.0104 0.0894 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0568 0.6124 0.6124
Echinococcus multilocularis isocitrate dehydrogenase 0.0051 0.0298 0.0298
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0298 0.0298
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0568 0.6124 0.6124
Loa Loa (eye worm) hypothetical protein 0.0399 0.4216 0.4216
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0047 0.0246 0.0246
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.018 0.1746 0.1746
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0298 0.0298
Echinococcus granulosus GPCR family 2 0.018 0.1746 0.1746
Loa Loa (eye worm) hypothetical protein 0.0388 0.4098 0.4098
Loa Loa (eye worm) hypothetical protein 0.018 0.1746 0.1746
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.018 0.1746 0.1746
Brugia malayi hypothetical protein 0.0067 0.0477 0.0477
Loa Loa (eye worm) hypothetical protein 0.0568 0.6124 0.6124
Schistosoma mansoni hypothetical protein 0.018 0.1746 0.1746
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.018 0.1746 0.1746
Brugia malayi hypothetical protein 0.0177 0.1711 0.1711
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.018 0.1746 0.1746
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0399 0.4216 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0051 0.0298 0.0298
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0051 0.0298 0.0298
Brugia malayi MH2 domain containing protein 0.0366 0.3843 0.3843
Brugia malayi Isocitrate dehydrogenase 0.0051 0.0298 0.0298
Brugia malayi Latrophilin receptor protein 2 0.018 0.1746 0.1746
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0051 0.0298 0.0298
Leishmania major hypothetical protein, conserved 0.0104 0.0894 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.1711 0.1711
Brugia malayi hypothetical protein 0.0104 0.0894 0.0894
Brugia malayi latrophilin 2 splice variant baaae 0.0388 0.4098 0.4098
Loa Loa (eye worm) hypothetical protein 0.0104 0.0894 0.0894
Brugia malayi Calcitonin receptor-like protein seb-1 0.0568 0.6124 0.6124
Trypanosoma cruzi PAB1-binding protein , putative 0.0104 0.0894 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.018 0.1746 0.1746
Schistosoma mansoni hypothetical protein 0.018 0.1746 0.1746
Echinococcus multilocularis GPCR, family 2 0.018 0.1746 0.1746
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.018 0.1746 0.1746
Schistosoma mansoni hypothetical protein 0.0047 0.0246 0.0246
Echinococcus granulosus microtubule associated protein 2 0.0833 0.9119 0.9119
Plasmodium falciparum ataxin-2 like protein, putative 0.0104 0.0894 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.9119 0.9119
Brugia malayi N-terminal motif family protein 0.0399 0.4216 0.4216
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0047 0.0246 0.0246
Trypanosoma brucei PAB1-binding protein , putative 0.0104 0.0894 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0051 0.0298 0.0298
Schistosoma mansoni hypothetical protein 0.018 0.1746 0.1746
Plasmodium vivax ataxin-2 like protein, putative 0.0104 0.0894 1
Schistosoma mansoni hypothetical protein 0.018 0.1746 0.1746
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0051 0.0298 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0104 0.0894 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0104 0.0894 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0366 0.3843 0.3843
Schistosoma mansoni hypothetical protein 0.0388 0.4098 0.4098

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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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