Detailed information for compound 1272151

Basic information

Technical information
  • TDR Targets ID: 1272151
  • Name: ethyl 3-[(3-bromobenzoyl)amino]-4-imidazol-1- ylbenzoate
  • MW: 414.253 | Formula: C19H16BrN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(c(c1)NC(=O)c1cccc(c1)Br)n1cncc1
  • InChi: 1S/C19H16BrN3O3/c1-2-26-19(25)14-6-7-17(23-9-8-21-12-23)16(11-14)22-18(24)13-4-3-5-15(20)10-13/h3-12H,2H2,1H3,(H,22,24)
  • InChiKey: UEEULDPGEFQRJP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 3-[(3-bromobenzoyl)amino]-4-imidazol-1-yl-benzoate
  • 3-[[(3-bromophenyl)-oxomethyl]amino]-4-(1-imidazolyl)benzoic acid ethyl ester
  • 3-[(3-bromobenzoyl)amino]-4-imidazol-1-yl-benzoic acid ethyl ester
  • ethyl 3-[(3-bromophenyl)carbonylamino]-4-imidazol-1-yl-benzoate
  • ZINC03257642
  • T0512-9685
  • MLS000392634
  • SMR000261530

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.2745 1 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.003 0.003
Toxoplasma gondii fructose-bisphospatase II 0.2745 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.003 0.003
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0 0.5
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.2745 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2745 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.063 0.063
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.003 0.003
Schistosoma mansoni hypothetical protein 0.035 0.1089 0.1089
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.063 0.063
Echinococcus granulosus fructose 16 bisphosphatase 1 0.2745 1 1
Loa Loa (eye worm) MBCTL1 0.0066 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0066 0.003 0.003
Trypanosoma brucei fructose-1,6-bisphosphatase 0.2745 1 1
Schistosoma mansoni fructose-16-bisphosphatase-related 0.2745 1 1
Onchocerca volvulus 0.0058 0 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.003 0.003
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.003 0.003
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.003 0.003
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.2745 1 1
Leishmania major 0.2745 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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.

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