Detailed information for compound 1237258

Basic information

Technical information
  • TDR Targets ID: 1237258
  • Name: N-[2,6-dibromo-4-(2,5-dioxopyrrolidin-1-yl)ph enyl]acetamide
  • MW: 390.027 | Formula: C12H10Br2N2O3
  • H donors: 1 H acceptors: 3 LogP: 1.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1c(Br)cc(cc1Br)N1C(=O)CCC1=O
  • InChi: 1S/C12H10Br2N2O3/c1-6(17)15-12-8(13)4-7(5-9(12)14)16-10(18)2-3-11(16)19/h4-5H,2-3H2,1H3,(H,15,17)
  • InChiKey: XFWLNGGKFQDBGZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2,6-dibromo-4-(2,5-dioxo-1-pyrrolidinyl)phenyl]acetamide
  • N-(2,6-dibromo-4-succinimido-phenyl)acetamide
  • N-[2,6-dibromo-4-(2,5-dioxopyrrolidin-1-yl)phenyl]ethanamide
  • A2170/0091139
  • ZINC00709191
  • Oprea1_407769
  • MLS000546730
  • SMR000114131

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0529 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0529 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0529 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3238 0.3238
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0529 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3238 0.3238
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0529 0.5
Echinococcus multilocularis geminin 0.0202 1 1
Echinococcus granulosus tar DNA binding protein 0.0073 0.3238 0.3238
Schistosoma mansoni ap endonuclease 0.0022 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.0182 0.8994 1
Brugia malayi hypothetical protein 0.0182 0.8994 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3238 0.3238
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0529 0.5
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3238 0.3238
Echinococcus multilocularis tar DNA binding protein 0.0073 0.3238 0.3238
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.3238 0.36
Toxoplasma gondii exonuclease III APE 0.0022 0.0529 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0529 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0529 0.0588
Loa Loa (eye worm) RNA binding protein 0.0073 0.3238 0.36
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0529 0.5
Brugia malayi RNA binding protein 0.0073 0.3238 0.36
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0529 0.5
Onchocerca volvulus 0.0182 0.8994 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0529 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0529 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0529 0.0529
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0529 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0529 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0529 0.0588
Brugia malayi TAR-binding protein 0.0073 0.3238 0.36
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0529 0.5
Loa Loa (eye worm) TAR-binding protein 0.0073 0.3238 0.36
Schistosoma mansoni hypothetical protein 0.0202 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0529 0.0529
Schistosoma mansoni tar DNA-binding protein 0.0073 0.3238 0.3238
Schistosoma mansoni hypothetical protein 0.0202 1 1
Schistosoma mansoni ap endonuclease 0.0022 0.0529 0.0529
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.3238 0.36

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.