Detailed information for compound 1294464

Basic information

Technical information
  • TDR Targets ID: 1294464
  • Name: (2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-y l)acetate
  • MW: 309.316 | Formula: C18H15NO4
  • H donors: 0 H acceptors: 3 LogP: 3.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)c2c(C1=O)cccc2)Oc1c(C)cccc1C
  • InChi: 1S/C18H15NO4/c1-11-6-5-7-12(2)16(11)23-15(20)10-19-17(21)13-8-3-4-9-14(13)18(19)22/h3-9H,10H2,1-2H3
  • InChiKey: KCATZRZARVNSNN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2,6-dimethylphenyl) 2-(1,3-dioxoisoindolin-2-yl)acetate
  • 2-(1,3-dioxo-2-isoindolinyl)acetic acid (2,6-dimethylphenyl) ester
  • 2-(1,3-diketoisoindolin-2-yl)acetic acid (2,6-dimethylphenyl) ester
  • (2,6-dimethylphenyl) 2-(1,3-dioxoisoindol-2-yl)ethanoate
  • IDI1_020001
  • (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid 2,6-dimethyl-phenyl ester
  • BAS 00581537
  • Oprea1_163826
  • Oprea1_268526
  • MLS001211187
  • SMR000514691
  • ChemDiv3_001035
  • ZINC00044230

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative 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 multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed 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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein 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
Brugia malayi PHD-finger family protein 0.003 0.1264 0.1219
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.5723 0.5
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0061 0.5723 0.6184
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0457 0.0717
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0457 1
Plasmodium vivax hypothetical protein, conserved 0.0061 0.5723 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0055
Echinococcus multilocularis SWI:SNF matrix associated 0.0061 0.5723 0.779
Schistosoma mansoni brg-1 associated factor 0.0061 0.5723 0.7175
Loa Loa (eye worm) hypothetical protein 0.0052 0.4357 0.4709
Loa Loa (eye worm) hypothetical protein 0.0024 0.0457 0.0494
Schistosoma mansoni hypothetical protein 0.0025 0.0518 0.0591
Echinococcus granulosus SWI:SNF matrix associated 0.0061 0.5723 0.779
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7332 1
Chlamydia trachomatis DNA topoisomerase I 0.0061 0.5723 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.0333 0.0358
Schistosoma mansoni hypothetical protein 0.0033 0.1703 0.209
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0055
Brugia malayi Bromodomain containing protein 0.0046 0.3599 0.3566
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.0061 0.5723 0.779
Brugia malayi brahma associated protein 60 kDa 0.0061 0.5723 0.5701
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0457 0.0717
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0061 0.5723 0.779
Leishmania major hypothetical protein, conserved 0.0024 0.0457 1
Schistosoma mansoni hypothetical protein 0.0061 0.5723 0.7175
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1703 0.1661
Brugia malayi hypothetical protein 0.0024 0.0457 0.0409
Echinococcus granulosus zinc finger protein 0.0024 0.0333 0.0388
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7332 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0333 0.0388
Echinococcus multilocularis SWI:SNF matrix associated 0.0061 0.5723 0.779
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0055
Chlamydia trachomatis SWIB complex protein 0.0061 0.5723 0.5
Schistosoma mansoni bromodomain containing protein 0.0076 0.7956 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0061 0.5723 0.5701
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0061 0.5723 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0061 0.5723 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0055
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0851 0.1012
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.4306
Loa Loa (eye worm) hypothetical protein 0.0048 0.3917 0.4233
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0518 0.0559
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0457 1
Schistosoma mansoni hypothetical protein 0.0061 0.5723 0.7175
Loa Loa (eye worm) brahma associated protein 0.0061 0.5723 0.6184
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0851 0.1099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.3917 0.3886
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0457 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.4024 0.4348
Loa Loa (eye worm) hypothetical protein 0.0046 0.3611 0.3902
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.3917 0.3886
Loa Loa (eye worm) hypothetical protein 0.0033 0.1703 0.184
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0061 0.5723 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0061 0.5723 0.779
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0457 0.0717
Brugia malayi brahma associated protein 60 kDa 0.0061 0.5723 0.5701
Schistosoma mansoni hypothetical protein 0.0061 0.5723 0.7175
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0061 0.5723 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0851 0.1099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.3917 0.4233
Onchocerca volvulus 0.0061 0.5723 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0051 0.0055
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3186 0.4306
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0061 0.5723 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.9254 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 (functional) 18.526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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

Species name Source Reference Is orphan
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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