Detailed information for compound 1483378

Basic information

Technical information
  • TDR Targets ID: 1483378
  • Name: 1-[(4-bromophenyl)methyl]-2-methylbenzimidazo le
  • MW: 301.181 | Formula: C15H13BrN2
  • H donors: 0 H acceptors: 1 LogP: 4.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)Cn1c(C)nc2c1cccc2
  • InChi: 1S/C15H13BrN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
  • InChiKey: RAVKGVBCSWBESJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(4-bromophenyl)methyl]-2-methyl-benzimidazole
  • 1-(4-bromobenzyl)-2-methyl-benzimidazole
  • 1-(4-bromobenzyl)-2-methyl-1H-benzimidazole
  • MLS001077238
  • SMR000473021
  • ZINC00183627
  • CBMicro_024868
  • 1-(4-Bromo-benzyl)-2-methyl-1H-benzoimidazole
  • BAS 00619537
  • BIM-0024897.P001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus GLI-Kruppel family member GLI1 Starlite/ChEMBL No references
Mus musculus wingless-type MMTV integration site family, member 3A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 2, group F, member 1 Starlite/ChEMBL No references
Homo sapiens galanin receptor 3 Starlite/ChEMBL No references
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131829 All targets in OG5_131829
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Zinc finger, C2H2 type family protein Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus multilocularis zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) zinc finger protein Get druggable targets OG5_130785 All targets in OG5_130785
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus zinc finger transcription factor gli2 Get druggable targets OG5_130785 All targets in OG5_130785
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor Get druggable targets OG5_131829 All targets in OG5_131829
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Steroid receptor seven-up type 2 Get druggable targets OG5_131829 All targets in OG5_131829
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor nuclear receptor subfamily 2, group F, member 1 423 aa 354 aa 26.3 %
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Brugia malayi Wnt-2 protein precursor wingless-type MMTV integration site family, member 3A 352 aa 355 aa 39.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0043 0.021 0.021
Schistosoma mansoni transient receptor potential channel 0.0078 0.1221 0.2272
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0123 0.2567 0.4776
Schistosoma mansoni transient receptor potential channel 0.0078 0.1221 0.2272
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0218 0.5374 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0218 0.5374 0.5
Onchocerca volvulus 0.0087 0.1488 0.2769
Echinococcus granulosus zinc finger transcription factor gli2 0.0373 1 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.004 0.0098 0.0098
Schistosoma mansoni hypothetical protein 0.0043 0.021 0.0391
Loa Loa (eye worm) hypothetical protein 0.0123 0.2567 0.2567
Plasmodium falciparum cysteine repeat modular protein 1 0.0218 0.5374 0.5
Loa Loa (eye worm) zinc finger protein 0.0373 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.1221 0.1221
Mycobacterium ulcerans hypothetical protein 0.0036 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.1105 0.1105
Toxoplasma gondii kringle domain-containing protein 0.0218 0.5374 0.5
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.2282 0.2282
Leishmania major hypothetical protein, conserved 0.0218 0.5374 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 0.2567 0.2567
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.1221 0.1221
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0115 0.2332 0.2332
Schistosoma mansoni transient receptor potential channel 0.0117 0.2398 0.4463
Onchocerca volvulus 0.0123 0.2567 0.4776
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0121 0.2503 0.2503
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.021 0.0391
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.2398 0.4463
Loa Loa (eye worm) hypothetical protein 0.0044 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0218 0.5374 0.5374
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.5
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.2398 0.2398
Brugia malayi Protein kinase domain containing protein 0.0218 0.5374 0.5374
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.021 0.021
Brugia malayi Trypsin family protein 0.0123 0.2567 0.2567
Loa Loa (eye worm) nuclear hormone receptor 0.0114 0.2312 0.2312
Brugia malayi Steroid receptor seven-up type 2 0.0121 0.2503 0.2503
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0214 0.0214
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.021 0.021
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0121 0.2503 0.2503
Loa Loa (eye worm) TK/ROR protein kinase 0.0218 0.5374 0.5374
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0123 0.2567 0.4776
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.2398 0.2398
Brugia malayi Kringle domain containing protein 0.0218 0.5374 0.5374
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0214 0.0214
Loa Loa (eye worm) hypothetical protein 0.0117 0.2398 0.2398
Echinococcus multilocularis zinc finger transcription factor gli2 0.0373 1 1
Onchocerca volvulus 0.0218 0.5374 1
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0214 0.0214
Echinococcus multilocularis tissue type plasminogen activator 0.0218 0.5374 0.5374
Echinococcus granulosus tissue type plasminogen activator 0.0218 0.5374 0.5374
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.5
Schistosoma mansoni hypothetical protein 0.0218 0.5374 1
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.5
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.2282 0.2282

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 0.668 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that inhibit transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2247, AID2256] ChEMBL. No reference
IC50 (functional) = 0.14016 uM PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose response assay to identify antagonists of the Galanin Receptor 3 (GalR3). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 0.369 uM PubChem BioAssay. Dose response validation of uHTS Gli-SUFU antagonist hits in a Wnt3a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 4.404 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify inhibitors of COUP-TFII (NR2F2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 4.73 uM PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SUFU in a luminescent reporter assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 85.329 uM PubChem BioAssay. Counterscreen for inhibitors of COUP-TFII (NR2F2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (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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