Detailed information for compound 1290997

Basic information

Technical information
  • TDR Targets ID: 1290997
  • Name: 4-chloro-N-[2-(4-imino-5-oxooxolan-3-yl)-5-me thoxyphenyl]benzamide
  • MW: 358.776 | Formula: C18H15ClN2O4
  • H donors: 1 H acceptors: 2 LogP: 2.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)NC(=O)c1ccc(cc1)Cl)C1COC(=O)C1=N
  • InChi: 1S/C18H15ClN2O4/c1-24-12-6-7-13(14-9-25-18(23)16(14)20)15(8-12)21-17(22)10-2-4-11(19)5-3-10/h2-8,14,20H,9H2,1H3,(H,21,22)
  • InChiKey: PSLSVIFODRTSHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[2-(4-imino-5-oxo-tetrahydrofuran-3-yl)-5-methoxy-phenyl]benzamide
  • 4-chloro-N-[2-(4-imino-5-oxo-3-tetrahydrofuranyl)-5-methoxyphenyl]benzamide
  • 4-chloro-N-[2-(4-imino-5-keto-tetrahydrofuran-3-yl)-5-methoxy-phenyl]benzamide
  • 4-chloro-N-[2-(4-imino-5-oxo-oxolan-3-yl)-5-methoxy-phenyl]benzamide
  • SMR000229567
  • AO-476/43201322
  • 4-chloro-N-[2-(4-imino-5-oxotetrahydro-3-furanyl)-5-methoxyphenyl]benzamide
  • MLS000698476

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
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 0.018 0.426 0.426
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0133 0.0313
Brugia malayi DIX domain containing protein 0.0018 0.0133 0.0133
Schistosoma mansoni smad1 5 8 and 0.0016 0.0088 0.0131
Brugia malayi RNA binding protein 0.0065 0.1324 0.1324
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0088 0.0207
Schistosoma mansoni smad1 5 8 and 0.0016 0.0088 0.0131
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0128 0.2938 0.6896
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0128 0.2938 0.6896
Echinococcus multilocularis muscleblind protein 0.018 0.426 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0128 0.2938 0.6896
Brugia malayi MH2 domain containing protein 0.0242 0.5818 0.5818
Echinococcus multilocularis smad 0.0016 0.0088 0.0207
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0128 0.2938 0.6896
Echinococcus granulosus Pleckstrin G protein interacting region 0.0018 0.0133 0.0313
Schistosoma mansoni hypothetical protein 0.0128 0.2938 0.4364
Loa Loa (eye worm) DIX domain-containing protein 0.0018 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0018 0.0133 0.0133
Brugia malayi MH2 domain containing protein 0.0016 0.0088 0.0088
Schistosoma mansoni smad1 5 8 and 0.0016 0.0088 0.0131
Brugia malayi latrophilin 2 splice variant baaae 0.0277 0.6731 0.6731
Loa Loa (eye worm) Smad1 0.0016 0.0088 0.0088
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0133 0.0313
Brugia malayi Muscleblind-like protein 0.018 0.426 0.426
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0371 0.9101 0.9101
Schistosoma mansoni hypothetical protein 0.0128 0.2938 0.4364
Loa Loa (eye worm) hypothetical protein 0.018 0.426 0.426
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1324 0.1967
Echinococcus granulosus GPCR family 2 0.0128 0.2938 0.6896
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0088 0.0207
Brugia malayi MH2 domain containing protein 0.0016 0.0088 0.0088
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0133 0.0313
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.5818 0.5818
Brugia malayi N-terminal motif family protein 0.0371 0.9101 0.9101
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0133 0.0313
Brugia malayi Smad1 0.0016 0.0088 0.0088
Echinococcus granulosus segment polarity protein dishevelled 0.0018 0.0133 0.0313
Toxoplasma gondii hypothetical protein 0.0018 0.0133 0.5
Brugia malayi TAR-binding protein 0.0065 0.1324 0.1324
Schistosoma mansoni z-protein (S1r protein) 0.0018 0.0133 0.0198
Schistosoma mansoni hypothetical protein 0.0128 0.2938 0.4364
Brugia malayi Latrophilin receptor protein 2 0.0128 0.2938 0.2938
Echinococcus granulosus smad 0.0016 0.0088 0.0207
Loa Loa (eye worm) hypothetical protein 0.0277 0.6731 0.6731
Loa Loa (eye worm) latrophilin receptor protein 2 0.0128 0.2938 0.2938
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.1324 0.1324
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1324 0.1967
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.1324 0.1324
Echinococcus multilocularis muscleblind protein 1 0.018 0.426 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0128 0.2938 0.2938
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0018 0.0133 0.0146
Echinococcus multilocularis Smad4 0.0016 0.0088 0.0207
Brugia malayi regulator of G-protein signaling egl-10 0.0018 0.0133 0.0133
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0088 0.0207
Echinococcus multilocularis regulator of G protein signaling 7 0.0018 0.0133 0.0313
Schistosoma mansoni regulator of G protein signaling 0.0018 0.0133 0.0198
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0018 0.0133 0.0313
Loa Loa (eye worm) RNA binding protein 0.0065 0.1324 0.1324
Schistosoma mansoni Smad4 0.0016 0.0088 0.0131
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.5818 0.5818
Schistosoma mansoni dishevelled 0.0018 0.0133 0.0198
Brugia malayi hypothetical protein 0.0018 0.0133 0.0133
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0018 0.0133 0.0198
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0018 0.0133 0.0133
Echinococcus multilocularis GPCR, family 2 0.0128 0.2938 0.6896
Echinococcus granulosus regulator of G protein signaling 7 0.0018 0.0133 0.0313
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0018 0.0133 0.0133
Brugia malayi hypothetical protein 0.0018 0.0133 0.0133
Onchocerca volvulus 0.0018 0.0133 0.0146
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0088 0.0131
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0088 0.0088
Brugia malayi MH1 domain containing protein 0.0016 0.0088 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1324 0.1967
Schistosoma mansoni smad 0.0016 0.0088 0.0131
Echinococcus granulosus muscleblind protein 0.018 0.426 1
Schistosoma mansoni hypothetical protein 0.0277 0.6731 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0133 0.0133
Loa Loa (eye worm) TAR-binding protein 0.0065 0.1324 0.1324
Brugia malayi MH1 domain containing protein 0.0016 0.0088 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1324 0.1967
Echinococcus multilocularis segment polarity protein dishevelled 0.0018 0.0133 0.0313
Echinococcus multilocularis tar DNA binding protein 0.0065 0.1324 0.3109
Schistosoma mansoni dep domain containing protein 0.0018 0.0133 0.0198
Loa Loa (eye worm) hypothetical protein 0.0018 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0128 0.2938 0.2938
Echinococcus granulosus Smad4 0.0016 0.0088 0.0207
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0371 0.9101 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0088 0.0207
Schistosoma mansoni hypothetical protein 0.0128 0.2938 0.4364
Echinococcus granulosus tar DNA binding protein 0.0065 0.1324 0.3109
Schistosoma mansoni tar DNA-binding protein 0.0065 0.1324 0.1967
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0088 0.0088
Schistosoma mansoni dishevelled 0.0018 0.0133 0.0198

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 1.7783 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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

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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