Detailed information for compound 1486816

Basic information

Technical information
  • TDR Targets ID: 1486816
  • Name: N-(2,4-dimethoxyphenyl)-N-methyl-3-[(1-propan oyl-2,3-dihydroindol-5-yl)sulfonyl]propanamid e
  • MW: 460.543 | Formula: C23H28N2O6S
  • H donors: 0 H acceptors: 4 LogP: 1.96 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)N1CCc2c1ccc(c2)S(=O)(=O)CCC(=O)N(c1ccc(cc1OC)OC)C
  • InChi: 1S/C23H28N2O6S/c1-5-22(26)25-12-10-16-14-18(7-9-19(16)25)32(28,29)13-11-23(27)24(2)20-8-6-17(30-3)15-21(20)31-4/h6-9,14-15H,5,10-13H2,1-4H3
  • InChiKey: INRPWTIRNAAOAP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-dimethoxyphenyl)-N-methyl-3-(1-propanoylindolin-5-yl)sulfonyl-propanamide
  • N-(2,4-dimethoxyphenyl)-N-methyl-3-[[1-(1-oxopropyl)-5-indolinyl]sulfonyl]propanamide
  • N-(2,4-dimethoxyphenyl)-N-methyl-3-(1-propionylindolin-5-yl)sulfonyl-propionamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0335 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0335 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0335 1 1
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0335 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0335 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0335 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0335 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7202 0.7202
Onchocerca volvulus 0.0286 0.8363 0.8363
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0335 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0335 1 1
Plasmodium vivax RNA helicase-1, putative 0.0335 1 1
Treponema pallidum ATP-dependent RNA helicase 0.0335 1 0.5
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0335 1 1
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0335 1 0.5
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0335 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0335 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0335 1 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.7202 0.7202
Plasmodium falciparum eukaryotic initiation factor 4A 0.0335 1 0.5
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0335 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0335 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0335 1 0.5
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0335 1 1
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0335 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0335 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No 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) 16.5113 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) 19.9526 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) 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
Homo sapiens ChEMBL23
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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