Detailed information for compound 715817

Basic information

Technical information
  • TDR Targets ID: 715817
  • Name: 3-[5-(3-acetamidophenoxy)-1,3-dioxoisoindol-2 -yl]propanoic acid
  • MW: 368.34 | Formula: C19H16N2O6
  • H donors: 2 H acceptors: 5 LogP: 1.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCN1C(=O)c2c(C1=O)ccc(c2)Oc1cccc(c1)NC(=O)C
  • InChi: 1S/C19H16N2O6/c1-11(22)20-12-3-2-4-13(9-12)27-14-5-6-15-16(10-14)19(26)21(18(15)25)8-7-17(23)24/h2-6,9-10H,7-8H2,1H3,(H,20,22)(H,23,24)
  • InChiKey: JWKSMNPNVFLFKA-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[5-(3-acetamidophenoxy)-1,3-dioxo-isoindolin-2-yl]propanoic acid
  • 3-[5-(3-acetamidophenoxy)-1,3-dioxo-2-isoindolinyl]propanoic acid
  • 3-[5-(3-acetamidophenoxy)-1,3-diketo-isoindolin-2-yl]propionic acid
  • 3-[5-(3-acetamidophenoxy)-1,3-dioxo-isoindol-2-yl]propanoic acid
  • STK277095
  • 3-{5-[3-(acetylamino)phenoxy]-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}propanoic acid
  • MLS000052509
  • SMR000081960

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
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
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical 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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
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_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570

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
Schistosoma mansoni bromodomain containing protein 0.0076 0.3367 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.126 0.126
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.1448 0.1378
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0229 0.0229
Schistosoma mansoni hypothetical protein 0.0025 0.0081 0.0242
Loa Loa (eye worm) hypothetical protein 0.0085 0.394 0.389
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.126 0.126
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0229 0.0679
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.3091 0.3091
Brugia malayi Bromodomain containing protein 0.0046 0.1442 0.1076
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.3091 0.3091
Echinococcus granulosus muscleblind protein 0.018 1 1
Echinococcus multilocularis muscleblind protein 0.018 1 1
Brugia malayi Bromodomain containing protein 0.0091 0.427 0.4024
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.163 0.1562
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0052 0.1777 0.171
Loa Loa (eye worm) hypothetical protein 0.018 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (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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