Detailed information for compound 1315487

Basic information

Technical information
  • TDR Targets ID: 1315487
  • Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl) -phenylsulfonylamino]acetamide
  • MW: 440.469 | Formula: C22H20N2O6S
  • H donors: 1 H acceptors: 3 LogP: 3.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(S(=O)(=O)c1ccccc1)CC(=O)Nc1ccc2c(c1)OCO2
  • InChi: 1S/C22H20N2O6S/c1-28-18-10-8-17(9-11-18)24(31(26,27)19-5-3-2-4-6-19)14-22(25)23-16-7-12-20-21(13-16)30-15-29-20/h2-13H,14-15H2,1H3,(H,23,25)
  • InChiKey: CZRSGHDCZVGWFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)-phenylsulfonyl-amino]acetamide
  • N-(1,3-benzodioxol-5-yl)-2-[(4-methoxyphenyl)-phenylsulfonyl-amino]ethanamide
  • MLS000716130
  • SMR000277647
  • ZINC00886931
  • 2-[Benzenesulfonyl-(4-methoxy-phenyl)-amino]-N-benzo[1,3]dioxol-5-yl-acetamide
  • BAS 02909740

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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) TAR-binding protein 0.0072 0.2138 0.2089
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1338 0.1338
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2138 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0406 1
Onchocerca volvulus 0.0052 0.1327 0.9105
Brugia malayi Protein kinase domain containing protein 0.002 0.0062 0.0062
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0406 1
Brugia malayi hypothetical protein 0.0029 0.0406 0.0406
Brugia malayi RNA binding protein 0.0072 0.2138 0.2138
Brugia malayi MH2 domain containing protein 0.0096 0.308 0.308
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0055 0.1451 0.1451
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0406 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0096 0.308 0.3037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1338 0.1284
Onchocerca volvulus 0.0055 0.1451 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1338 0.1284
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1338 0.6148
Leishmania major hypothetical protein, conserved 0.0029 0.0406 1
Brugia malayi TAR-binding protein 0.0072 0.2138 0.2138
Onchocerca volvulus 0.0045 0.1042 0.705
Schistosoma mansoni survival motor neuron protein 0.0055 0.1451 0.6693
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2138 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0406 1
Brugia malayi Trypsin family protein 0.0052 0.1327 0.1327
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0406 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.1327 0.6094
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2138 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0052 0.1327 0.6094
Brugia malayi Kringle domain containing protein 0.002 0.0062 0.0062
Loa Loa (eye worm) RNA binding protein 0.0072 0.2138 0.2089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1338 0.6148
Schistosoma mansoni hypothetical protein 0.0055 0.1451 0.6693
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0406 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1338 0.6148
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2138 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1327 0.1273
Loa Loa (eye worm) hypothetical protein 0.0052 0.1327 0.1273
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.2138 0.2089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1338 0.1284
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0406 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1338 0.1284
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1338 0.1284
Echinococcus granulosus tar DNA binding protein 0.0072 0.2138 0.2089
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.2138 0.2138
Schistosoma mansoni tar DNA-binding protein 0.0072 0.2138 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0406 0.0346
Echinococcus multilocularis tar DNA binding protein 0.0072 0.2138 0.2089
Loa Loa (eye worm) transcription factor SMAD2 0.0096 0.308 0.3037

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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