Detailed information for compound 1495154

Basic information

Technical information
  • TDR Targets ID: 1495154
  • Name: 2-bromobenzene-1,3-dicarboxylic acid
  • MW: 245.027 | Formula: C8H5BrO4
  • H donors: 2 H acceptors: 4 LogP: 1.67 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cccc(c1Br)C(=O)O
  • InChi: 1S/C8H5BrO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)
  • InChiKey: LOICBODWTPYJIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-Bromoisophthalic acid
  • 22433-91-6
  • IDI1_015854
  • NSC312822
  • Maybridge3_004467
  • SR-01000642232-1

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
Brugia malayi hypothetical protein 0.0053 0.2373 0.4589
Loa Loa (eye worm) hypothetical protein 0.0037 0.1341 0.2829
Loa Loa (eye worm) hypothetical protein 0.0029 0.0841 0.1235
Brugia malayi PHD-finger family protein 0.0029 0.0841 0.1626
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0583 0.0415
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0072 0.3594 1
Echinococcus multilocularis aryl hydrocarbon receptor 0.0053 0.239 0.2029
Onchocerca volvulus 0.0053 0.2373 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0583 0.0415
Brugia malayi Proteasome A-type and B-type family protein 0.0072 0.3594 0.6949
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0841 0.0406
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0453 0.0876
Giardia lamblia PHD finger protein 15 0.0029 0.0841 0.1235
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0037 0.1358 0.2883
Echinococcus multilocularis peregrin 0.0029 0.0841 0.0406
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0841 0.0406
Schistosoma mansoni hypothetical protein 0.017 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.2192 0.5538
Leishmania major proteasome beta 5 subunit, putative 0.0072 0.3594 1
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0037 0.1358 0.0948
Loa Loa (eye worm) hypothetical protein 0.0037 0.1341 0.2829
Entamoeba histolytica hypothetical protein 0.0036 0.1286 0.2654
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1241 0.0826
Loa Loa (eye worm) hypothetical protein 0.0037 0.1341 0.2829
Echinococcus granulosus peregrin 0.0029 0.0841 0.0406
Brugia malayi hypothetical protein 0.0037 0.1358 0.2627
Schistosoma mansoni jumonji domain containing protein 0.0076 0.389 0.36
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.2192 0.5538
Echinococcus multilocularis proteasome (prosome, macropain) 0.0072 0.3594 0.329
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.1241 0.0826
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0037 0.1358 0.2627
Echinococcus granulosus aryl hydrocarbon receptor 0.0053 0.239 0.2029
Toxoplasma gondii proteasome subunit beta type, putative 0.0072 0.3594 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.2192 0.4239
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0072 0.3594 1
Brugia malayi Bromodomain containing protein 0.0029 0.0841 0.1626
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.1286 0.0873
Entamoeba histolytica hypothetical protein 0.0036 0.1286 0.2654
Brugia malayi hypothetical protein 0.0036 0.1286 0.2488
Plasmodium vivax proteasome subunit beta type-5, putative 0.0072 0.3594 1
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0072 0.3594 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0841 0.0406
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0072 0.3594 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.5171 0.4942
Entamoeba histolytica hypothetical protein 0.0036 0.1286 0.2654
Plasmodium falciparum proteasome subunit beta type-5 0.0072 0.3594 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.5171 0.4942
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0053 0.239 0.6168
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0072 0.3594 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0583 0.0415
Brugia malayi hypothetical protein 0.0025 0.0583 0.1128
Schistosoma mansoni hypothetical protein 0.0029 0.0841 0.0406
Mycobacterium ulcerans proteasome PrcB 0.0072 0.3594 1
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0072 0.3594 1
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.1286 0.0873
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0841 0.0856
Loa Loa (eye worm) hypothetical protein 0.0053 0.2373 0.6114
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0037 0.1358 0.2627
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0072 0.3594 1
Brugia malayi hypothetical protein 0.0037 0.1341 0.2594
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.1241 0.0826
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0841 0.0856
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0037 0.1341 0.2594
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.1586 0.1187
Loa Loa (eye worm) hypothetical protein 0.005 0.2201 0.5565
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0583 0.0415
Onchocerca volvulus Protein cycle homolog 0.0037 0.1358 0.3378
Schistosoma mansoni hypothetical protein 0.0034 0.1162 0.0743
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0072 0.3594 0.329
Echinococcus granulosus proteasome prosome macropain 0.0072 0.3594 0.329
Brugia malayi jmjC domain containing protein 0.0096 0.5171 1
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.1241 0.0826
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0841 0.1235
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0072 0.3594 1
Echinococcus multilocularis geminin 0.017 1 1
Entamoeba histolytica hypothetical protein 0.0036 0.1286 0.2654
Loa Loa (eye worm) hypothetical protein 0.0034 0.1162 0.2259
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1162 0.2248
Schistosoma mansoni hypothetical protein 0.017 1 1
Schistosoma mansoni hypothetical protein 0.0036 0.1286 0.0873
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0453 0.0876
Leishmania major hypothetical protein, conserved 0.0025 0.0583 0.0415
Plasmodium falciparum phd finger protein, putative 0.0029 0.0841 0.0856
Echinococcus granulosus jumonji domain containing protein 0.0041 0.1586 0.1187
Loa Loa (eye worm) hypothetical protein 0.0037 0.1341 0.2829
Brugia malayi jmjC domain containing protein 0.0035 0.1241 0.2401
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0841 0.0856
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.2868 0.7688
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.1286 0.0873
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.2192 0.4239
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0072 0.3594 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.1241 0.2511

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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