Detailed information for compound 1360022

Basic information

Technical information
  • TDR Targets ID: 1360022
  • Name: 2-(3-bromophenyl)-1-[(4-fluorophenyl)methyl]b enzimidazole
  • MW: 381.241 | Formula: C20H14BrFN2
  • H donors: 0 H acceptors: 1 LogP: 5.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)Cn1c(nc2c1cccc2)c1cccc(c1)Br
  • InChi: 1S/C20H14BrFN2/c21-16-5-3-4-15(12-16)20-23-18-6-1-2-7-19(18)24(20)13-14-8-10-17(22)11-9-14/h1-12H,13H2
  • InChiKey: DUBFPJBJSZXBPG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-bromophenyl)-1-(4-fluorobenzyl)benzimidazole
  • G857-1219
  • NCGC00137160-01
  • ZINC02695563
  • T5444984

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0033 0.1193 1
Trichomonas vaginalis ribonuclease H1, putative 0.0026 0.0712 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1193 0.1193
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3985 0.6095
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3374 0.3374
Loa Loa (eye worm) RNA binding protein 0.0068 0.3985 0.3985
Onchocerca volvulus 0.0033 0.1193 1
Trypanosoma brucei hypothetical protein, conserved 0.0029 0.089 0.0309
Schistosoma mansoni phosphoglucomutase 0.0026 0.0712 0.0925
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0126 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3985 0.6095
Schistosoma mansoni intermediate filament proteins 0.0033 0.1193 0.1685
Echinococcus granulosus ribonuclease H1 0.0026 0.0712 0.1518
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1193 0.1193
Echinococcus granulosus intermediate filament protein 0.0033 0.1193 0.2765
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.3985 0.3985
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0029 0.089 0.0309
Echinococcus granulosus lamin 0.0033 0.1193 0.2765
Brugia malayi RNase H family protein 0.0026 0.0712 0.0712
Trypanosoma cruzi ribonuclease H1, putative 0.0026 0.0712 0.5
Brugia malayi RNA binding protein 0.0068 0.3985 0.3985
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.089 0.0309
Brugia malayi intermediate filament protein 0.0033 0.1193 0.1193
Schistosoma mansoni hypothetical protein 0.0099 0.6457 1
Echinococcus multilocularis musashi 0.0033 0.1193 0.2765
Toxoplasma gondii ribonuclease HI protein 0.0026 0.0712 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1193 0.1193
Schistosoma mansoni hypothetical protein 0.0041 0.1871 0.2756
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Schistosoma mansoni phosphoglucomutase 0.0026 0.0712 0.0925
Leishmania major ribonuclease H1, putative 0.0026 0.0712 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3985 0.6095
Loa Loa (eye worm) hypothetical protein 0.0019 0.0126 0.0126
Schistosoma mansoni phosphoglucomutase 0.0026 0.0712 0.0925
Trypanosoma cruzi ribonuclease H1, putative 0.0026 0.0712 0.5
Brugia malayi TAR-binding protein 0.0068 0.3985 0.3985
Trypanosoma brucei unspecified product 0.0029 0.089 0.0309
Echinococcus multilocularis lamin 0.0033 0.1193 0.2765
Loa Loa (eye worm) TAR-binding protein 0.0068 0.3985 0.3985
Echinococcus multilocularis lamin dm0 0.0033 0.1193 0.2765
Schistosoma mansoni lamin 0.0033 0.1193 0.1685
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0126 0.0126
Echinococcus multilocularis ribonuclease H1 0.0026 0.0712 0.1518
Brugia malayi RNase H family protein 0.0026 0.0712 0.0712
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0126 0.0126
Trypanosoma brucei RNA helicase, putative 0.0099 0.6457 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1871 0.1871
Echinococcus granulosus lamin dm0 0.0033 0.1193 0.2765
Echinococcus granulosus tar DNA binding protein 0.0068 0.3985 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3374 0.3374
Trypanosoma brucei ingi protein (ORF1) 0.0029 0.089 0.0309
Brugia malayi RNase H family protein 0.0026 0.0712 0.0712
Echinococcus multilocularis tar DNA binding protein 0.0068 0.3985 1
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0026 0.0712 0.5
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3985 0.6095
Loa Loa (eye worm) hypothetical protein 0.0032 0.1146 0.1146
Loa Loa (eye worm) hypothetical protein 0.006 0.3374 0.3374
Schistosoma mansoni lamin 0.0033 0.1193 0.1685
Loa Loa (eye worm) hypothetical protein 0.0041 0.1871 0.1871
Treponema pallidum ribonuclease H (rnhA) 0.0026 0.0712 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3374 0.3374
Giardia lamblia Ribonuclease H 0.0026 0.0712 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.3985 0.3985
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3985 0.6095
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1193 0.1193

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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