Detailed information for compound 1428359

Basic information

Technical information
  • TDR Targets ID: 1428359
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloro-2 -methylphenyl)-methylsulfonylamino]acetamide
  • MW: 410.872 | Formula: C18H19ClN2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)C)c1ccc(cc1C)Cl)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C18H19ClN2O5S/c1-12-7-14(19)4-5-15(12)21(27(2,23)24)10-18(22)20-9-13-3-6-16-17(8-13)26-11-25-16/h3-8H,9-11H2,1-2H3,(H,20,22)
  • InChiKey: ZRVGZUQZJMEFRM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloro-2-methyl-phenyl)-methylsulfonyl-amino]acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloro-2-methyl-phenyl)-mesyl-amino]acetamide
  • N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-chloro-2-methyl-phenyl)-methylsulfonyl-amino]ethanamide
  • ZINC00811750
  • MLS000715984
  • SMR000277501
  • BAS 08175797

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis lamin 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
Schistosoma mansoni lamin 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 japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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) intermediate filament protein 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
Schistosoma japonicum Lamin-C, putative 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 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
Echinococcus multilocularis lamin dm0 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
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 japonicum ko:K07611 lamin, putative 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 japonicum expressed protein 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 lamin Get druggable targets OG5_128723 All targets in OG5_128723

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
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Onchocerca volvulus Peroxidase homolog 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Brugia malayi Cadherin domain containing protein 0.0556 0.2204 0.2204
Toxoplasma gondii EGF family domain-containing protein 0.0556 0.2204 0.5
Brugia malayi intermediate filament protein 0.0033 0.0062 0.0062
Onchocerca volvulus 0.0556 0.2204 0.2155
Echinococcus multilocularis neurogenic locus notch protein 0.0556 0.2204 0.2155
Onchocerca volvulus 0.2462 1 1
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Onchocerca volvulus 0.0556 0.2204 0.2155
Onchocerca volvulus Peroxidasin homolog 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Schistosoma mansoni notch 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Echinococcus granulosus protein jagged 2 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0556 0.2204 0.2155
Echinococcus multilocularis peroxidasin 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0059 0.0059
Loa Loa (eye worm) notch protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) blistered cuticle protein 3 0.2462 1 1
Schistosoma mansoni notch 0.0556 0.2204 0.2155
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0062 0.0062
Schistosoma mansoni laminin gamma-3 chain 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Echinococcus granulosus protein jagged 1 0.0556 0.2204 0.2155
Echinococcus granulosus protein jagged 1 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Brugia malayi notch-like transmembrane receptor 0.0556 0.2204 0.2204
Brugia malayi Animal haem peroxidase family protein 0.2462 1 1
Brugia malayi Delta serrate ligand family protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Onchocerca volvulus Slit protein homolog 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155
Echinococcus granulosus neurogenic locus protein delta 0.0556 0.2204 0.2155
Echinococcus granulosus neurogenic locus notch protein 0.0556 0.2204 0.2155
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0556 0.2204 0.2204
Echinococcus multilocularis neural cadherin 0.0556 0.2204 0.2155
Brugia malayi Calcium binding EGF domain containing protein 0.0556 0.2204 0.2204
Brugia malayi Animal haem peroxidase family protein 0.2462 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Echinococcus granulosus fibropellin Ia 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0033 0.0062 0.0062
Onchocerca volvulus 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Brugia malayi Animal haem peroxidase family protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Echinococcus multilocularis slit 2 protein 0.0556 0.2204 0.2155
Echinococcus multilocularis protein jagged 1 0.0556 0.2204 0.2155
Onchocerca volvulus Dual oxidase homolog 0.2462 1 1
Loa Loa (eye worm) Notch2 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Echinococcus granulosus slit 2 protein 0.0556 0.2204 0.2155
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) animal heme peroxidase 0.2462 1 1
Onchocerca volvulus Peroxidasin homolog 0.2462 1 1
Echinococcus multilocularis neurogenic locus notch protein 0.0556 0.2204 0.2155
Echinococcus multilocularis fibropellin Ia 0.0556 0.2204 0.2155
Brugia malayi Cadherin domain containing protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Brugia malayi Animal haem peroxidase family protein 0.2462 1 1
Brugia malayi Blistered cuticle protein 3 0.2462 1 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0556 0.2204 0.2155
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Onchocerca volvulus Peroxidase homolog 0.2462 1 1
Schistosoma mansoni notch 0.0556 0.2204 0.2155
Brugia malayi Calcium binding EGF domain containing protein 0.0556 0.2204 0.2204
Schistosoma mansoni cell polarity protein 0.0556 0.2204 0.2155
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Onchocerca volvulus 0.0556 0.2204 0.2155
Loa Loa (eye worm) animal heme peroxidase 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Schistosoma mansoni notch 0.0556 0.2204 0.2155
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0062 0.0062
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155
Brugia malayi Calcium binding EGF domain containing protein 0.0556 0.2204 0.2204
Echinococcus multilocularis neurogenic locus protein delta 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Brugia malayi GCC2 and GCC3 family protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0556 0.2204 0.2155
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155
Onchocerca volvulus Chorion peroxidase homolog 0.2462 1 1
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Onchocerca volvulus 0.2462 1 1
Schistosoma mansoni notch 0.0556 0.2204 0.2155
Loa Loa (eye worm) animal heme peroxidase 0.2462 1 1
Schistosoma mansoni septate junction protein 0.0556 0.2204 0.2155
Onchocerca volvulus 0.0556 0.2204 0.2155
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Schistosoma mansoni notch 0.0556 0.2204 0.2155
Schistosoma mansoni peroxidasin 0.2462 1 1
Giardia lamblia High cysteine protein 0.0556 0.2204 0.5
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Echinococcus granulosus delta-like protein 1 0.0556 0.2204 0.2155
Loa Loa (eye worm) animal heme peroxidase 0.2462 1 1
Echinococcus granulosus protein jagged 2 0.0556 0.2204 0.2155
Brugia malayi Animal haem peroxidase family protein 0.2462 1 1
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Onchocerca volvulus 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Echinococcus multilocularis notch 0.0556 0.2204 0.2155
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0062 0.0062
Echinococcus multilocularis neurogenic locus protein delta 0.0556 0.2204 0.2155
Schistosoma mansoni slit 0.0556 0.2204 0.2155
Brugia malayi Muscle positioning protein 4 0.0556 0.2204 0.2204
Echinococcus granulosus neural cadherin 0.0556 0.2204 0.2155
Loa Loa (eye worm) hypothetical protein 0.2462 1 1
Echinococcus multilocularis protein jagged 2 0.0556 0.2204 0.2155
Onchocerca volvulus Neurogenic locus notch homolog 0.0556 0.2204 0.2155
Echinococcus granulosus notch 0.0556 0.2204 0.2155
Schistosoma mansoni peroxidasin 0.2462 1 1
Loa Loa (eye worm) hypothetical protein 0.0556 0.2204 0.2204
Echinococcus granulosus peroxidasin 0.2462 1 1
Brugia malayi Peroxidasin 0.2462 1 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0556 0.2204 0.2155
Echinococcus granulosus neurogenic locus notch protein 4 0.0556 0.2204 0.2155
Brugia malayi EGF-like domain containing protein 0.0556 0.2204 0.2204
Onchocerca volvulus Putative cubilin 0.0556 0.2204 0.2155
Echinococcus multilocularis protein jagged 1 0.0556 0.2204 0.2155
Schistosoma mansoni hypothetical protein 0.0556 0.2204 0.2155

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 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
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 89.1251 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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