Detailed information for compound 1539468

Basic information

Technical information
  • TDR Targets ID: 1539468
  • Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4- fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acet amide
  • MW: 385.346 | Formula: C19H16FN3O5
  • H donors: 2 H acceptors: 3 LogP: 1.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC(C1=O)c1ccc(cc1)F)Nc1ccc2c(c1)OCCO2
  • InChi: 1S/C19H16FN3O5/c20-12-3-1-11(2-4-12)17-18(25)23(19(26)22-17)10-16(24)21-13-5-6-14-15(9-13)28-8-7-27-14/h1-6,9,17H,7-8,10H2,(H,21,24)(H,22,26)
  • InChiKey: VRWWVUKAMMDCOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-fluorophenyl)-2,5-dioxo-imidazolidin-1-yl]acetamide
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-fluorophenyl)-2,5-dioxo-1-imidazolidinyl]acetamide
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-fluorophenyl)-2,5-diketo-imidazolidin-1-yl]acetamide
  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[4-(4-fluorophenyl)-2,5-dioxo-imidazolidin-1-yl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens v-ets avian erythroblastosis virus E26 oncogene homolog Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Brugia malayi Fli-1 protein Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma mansoni ets-related Get druggable targets OG5_131947 All targets in OG5_131947
Schistosoma japonicum ko:K09435 transcriptional regulator ERG, putative Get druggable targets OG5_131947 All targets in OG5_131947
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 0.0346 0.6633 0.6633
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.016 0.2726 0.3343
Echinococcus granulosus tar DNA binding protein 0.0383 0.7422 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0048 0.0368 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.016 0.2726 0.2726
Loa Loa (eye worm) RNA binding protein 0.0383 0.7422 0.7422
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0368 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0506 1 1
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0368 0.0368
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0383 0.7422 0.7422
Schistosoma mansoni tar DNA-binding protein 0.0383 0.7422 1
Echinococcus granulosus GA binding protein alpha chain 0.0087 0.12 0.1179
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0048 0.0368 1
Schistosoma mansoni tar DNA-binding protein 0.0383 0.7422 1
Schistosoma mansoni tar DNA-binding protein 0.0383 0.7422 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0368 1
Brugia malayi isocitrate dehydrogenase 0.0048 0.0368 0.0368
Echinococcus multilocularis GPCR, family 2 0.016 0.2726 0.3343
Loa Loa (eye worm) fli-1 protein 0.0265 0.4946 0.4946
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0087 0.12 0.12
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.0368 0.0368
Brugia malayi Fli-1 protein 0.0265 0.4946 0.4946
Schistosoma mansoni tar DNA-binding protein 0.0383 0.7422 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0271 0.5056 0.5056
Loa Loa (eye worm) TAR-binding protein 0.0383 0.7422 0.7422
Echinococcus granulosus GPCR family 2 0.016 0.2726 0.3343
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.016 0.2726 0.2726
Brugia malayi Ets-domain containing protein 0.0087 0.12 0.12
Loa Loa (eye worm) hypothetical protein 0.0506 1 1
Schistosoma mansoni hypothetical protein 0.016 0.2726 0.3343
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0368 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0048 0.0368 1
Loa Loa (eye worm) hypothetical protein 0.0346 0.6633 0.6633
Brugia malayi Calcitonin receptor-like protein seb-1 0.0506 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0383 0.7422 0.7422
Schistosoma mansoni hypothetical protein 0.016 0.2726 0.3343
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0368 1
Brugia malayi MH2 domain containing protein 0.0271 0.5056 0.5056
Echinococcus multilocularis GA binding protein alpha chain 0.0087 0.12 0.1179
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.0368 0.5
Brugia malayi Ets-domain containing protein 0.0087 0.12 0.12
Schistosoma mansoni tar DNA-binding protein 0.0383 0.7422 1
Echinococcus multilocularis tar DNA binding protein 0.0383 0.7422 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.016 0.2726 0.3343
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0368 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0048 0.0368 1
Brugia malayi Latrophilin receptor protein 2 0.016 0.2726 0.2726
Loa Loa (eye worm) hypothetical protein 0.0075 0.0933 0.0933
Schistosoma mansoni gabp alpha 0.0087 0.12 0.1179
Brugia malayi RNA binding protein 0.0383 0.7422 0.7422
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.016 0.2726 0.3343
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.016 0.2726 0.3343
Brugia malayi TAR-binding protein 0.0383 0.7422 0.7422
Schistosoma mansoni hypothetical protein 0.0346 0.6633 0.8882
Schistosoma mansoni hypothetical protein 0.016 0.2726 0.3343
Loa Loa (eye worm) hypothetical protein 0.016 0.2726 0.2726
Schistosoma mansoni hypothetical protein 0.016 0.2726 0.3343
Loa Loa (eye worm) transcription factor SMAD2 0.0271 0.5056 0.5056
Schistosoma mansoni ets-related 0.0265 0.4946 0.649

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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