Detailed information for compound 1442082

Basic information

Technical information
  • TDR Targets ID: 1442082
  • Name: 1-(cyclobutanecarbonyl)-2-methyl-N-(3,4,5-tri methoxyphenyl)-2,3-dihydroindole-5-sulfonamid e
  • MW: 460.543 | Formula: C23H28N2O6S
  • H donors: 1 H acceptors: 3 LogP: 3.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)NS(=O)(=O)c1ccc2c(c1)CC(N2C(=O)C1CCC1)C
  • InChi: 1S/C23H28N2O6S/c1-14-10-16-11-18(8-9-19(16)25(14)23(26)15-6-5-7-15)32(27,28)24-17-12-20(29-2)22(31-4)21(13-17)30-3/h8-9,11-15,24H,5-7,10H2,1-4H3
  • InChiKey: KZQPSTFEBLYWIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(cyclobutanecarbonyl)-2-methyl-N-(3,4,5-trimethoxyphenyl)indoline-5-sulfonamide
  • 1-(cyclobutyl-oxomethyl)-2-methyl-N-(3,4,5-trimethoxyphenyl)-5-indolinesulfonamide
  • 1-cyclobutylcarbonyl-2-methyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
  • E699-1387
  • NCGC00124543-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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) hypothetical protein 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 mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K07611 lamin, putative 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 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 mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
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
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus 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
Brugia malayi intermediate filament 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 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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus lamin dm0 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 granulosus lamin 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 tail domain-containing 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.095 1
Brugia malayi jmjC domain containing protein 0.0039 0.138 0.2463
Loa Loa (eye worm) hypothetical protein 0.0028 0.0673 0.2152
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.095 0.0001
Brugia malayi hypothetical protein 0.0043 0.1632 0.2913
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1632 0.0755
Entamoeba histolytica hypothetical protein 0.0043 0.1632 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1632 0.0755
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.9216 0.9133
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.095 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.095 0.3037
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.095 0.3037
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.5604 0.5143
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.138 0.0476
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.095 0.0001
Brugia malayi intermediate filament protein 0.0033 0.0949 0.1694
Entamoeba histolytica hypothetical protein 0.0043 0.1632 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0949 0.3035
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0673 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.8449 0.8287
Schistosoma mansoni hypothetical protein 0.0177 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0949 0.3035
Echinococcus multilocularis geminin 0.0177 1 1
Brugia malayi hypothetical protein 0.0028 0.0673 0.1201
Leishmania major hypothetical protein, conserved 0.0028 0.0673 0.5
Schistosoma mansoni jumonji domain containing protein 0.0085 0.4227 0.3621
Plasmodium falciparum phd finger protein, putative 0.0033 0.095 1
Echinococcus granulosus jumonji domain containing protein 0.0045 0.1751 0.0886
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0949 0.1694
Echinococcus multilocularis peregrin 0.0033 0.095 0.0001
Entamoeba histolytica hypothetical protein 0.0043 0.1632 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.095 0.0001
Brugia malayi PHD-finger family protein 0.0033 0.095 0.1695
Brugia malayi jmjC domain containing protein 0.0107 0.5604 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.9216 0.9133
Schistosoma mansoni thyroid hormone receptor 0.0164 0.9216 0.9133
Plasmodium vivax hypothetical protein, conserved 0.0033 0.095 1
Brugia malayi Bromodomain containing protein 0.0033 0.095 0.1695
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0949 0.3035
Loa Loa (eye worm) hypothetical protein 0.0032 0.0912 0.2915
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.3128 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0673 0.5
Schistosoma mansoni hypothetical protein 0.0177 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.1632 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.8449 0.8287
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.138 0.0476
Giardia lamblia PHD finger protein 15 0.0033 0.095 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.138 0.4413
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.5604 0.5143
Schistosoma mansoni hypothetical protein 0.0043 0.1632 0.0755
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0673 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.095 0.0001
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1632 0.0755
Brugia malayi hypothetical protein 0.0018 0.0046 0.0083
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.138 0.0476
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.1751 0.0886
Loa Loa (eye worm) hypothetical protein 0.0056 0.2411 0.7709
Onchocerca volvulus Alhambra homolog 0.0033 0.095 1
Echinococcus granulosus peregrin 0.0033 0.095 0.0001
Schistosoma mansoni hypothetical protein 0.0152 0.8449 0.8287
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.138 0.0476

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0562 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.2202 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) = 19.9526 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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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