Detailed information for compound 1192918

Basic information

Technical information
  • TDR Targets ID: 1192918
  • Name: N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]- 5-ethyl-3-methyl-1-benzofuran-2-carboxamide
  • MW: 426.936 | Formula: C24H27ClN2O3
  • H donors: 1 H acceptors: 1 LogP: 4.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc2c(c1)c(C)c(o2)C(=O)NCC(c1ccc(cc1)Cl)N1CCOCC1
  • InChi: 1S/C24H27ClN2O3/c1-3-17-4-9-22-20(14-17)16(2)23(30-22)24(28)26-15-21(27-10-12-29-13-11-27)18-5-7-19(25)8-6-18/h4-9,14,21H,3,10-13,15H2,1-2H3,(H,26,28)
  • InChiKey: ZJGSKEPKQIMVCB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-chlorophenyl)-2-morpholino-ethyl]-5-ethyl-3-methyl-benzofuran-2-carboxamide
  • N-[2-(4-chlorophenyl)-2-morpholinoethyl]-5-ethyl-3-methyl-2-benzofurancarboxamide
  • N-[2-(4-chlorophenyl)-2-morpholin-4-yl-ethyl]-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
  • D303-0159
  • NCGC00118311-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
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 granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus 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
Schistosoma japonicum Lamin-C, 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) 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 tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin 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
Echinococcus multilocularis lamin dm0 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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.3412 0.3239
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0256 0.016
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Schistosoma mansoni lamin 0.0033 0.2842 0.2654
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0256 0.016
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.6131 0.6131
Echinococcus multilocularis lamin 0.0033 0.2842 0.2772
Loa Loa (eye worm) hypothetical protein 0.0053 0.6131 0.6131
Echinococcus granulosus GPCR family 2 0.0017 0.0256 0.016
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2842 0.2654
Echinococcus granulosus lamin 0.0033 0.2842 0.2772
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2842 0.2842
Echinococcus granulosus lamin dm0 0.0033 0.2842 0.2772
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.2842 0.2772
Brugia malayi intermediate filament protein 0.0033 0.2842 0.2654
Echinococcus multilocularis musashi 0.0033 0.2842 0.2772
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0256 0.016
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus granulosus intermediate filament protein 0.0033 0.2842 0.2772
Onchocerca volvulus 0.0033 0.2842 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.6131 0.603
Onchocerca volvulus 0.0033 0.2842 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.3412 0.3239
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0379 0.0126
Schistosoma mansoni intermediate filament proteins 0.0033 0.2842 0.2654
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2842 0.2842
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.6131 0.603
Schistosoma mansoni lamin 0.0033 0.2842 0.2654
Brugia malayi TAR-binding protein 0.0076 1 1
Echinococcus multilocularis GPCR, family 2 0.0017 0.0256 0.016
Loa Loa (eye worm) hypothetical protein 0.0032 0.2745 0.2745
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0256 0.016
Loa Loa (eye worm) hypothetical protein 0.0016 0.0097 0.0097
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0256 0.0256
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0033 0.2842 0.2842
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0379 0.0379
Loa Loa (eye worm) hypothetical protein 0.0036 0.3412 0.3412

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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