Detailed information for compound 1401281

Basic information

Technical information
  • TDR Targets ID: 1401281
  • Name: 1-[(2-fluorophenyl)methyl]-2-phenylbenzimidaz ole
  • MW: 302.345 | Formula: C20H15FN2
  • H donors: 0 H acceptors: 1 LogP: 4.8 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1Cn1c(nc2c1cccc2)c1ccccc1
  • InChi: 1S/C20H15FN2/c21-17-11-5-4-10-16(17)14-23-19-13-7-6-12-18(19)22-20(23)15-8-2-1-3-9-15/h1-13H,14H2
  • InChiKey: QWKATXLQOOIZLB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2-fluorophenyl)methyl]-2-phenyl-benzimidazole
  • 1-(2-fluorobenzyl)-2-phenyl-benzimidazole
  • NCGC00114780-01
  • T5457590
  • ZINC00617504
  • D011-5103

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0718 0.5853 0.5853
Schistosoma mansoni alpha-glucosidase 0.0169 0.1092 0.1866
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0002 0.0007
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0145 0.0145
Onchocerca volvulus 0.0114 0.061 0.1043
Echinococcus multilocularis vesicular acetylcholine transporter 0.0718 0.5853 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0002 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0002 0.0007
Trypanosoma brucei glucosidase, putative 0.0044 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0611 0.4927 0.4927
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0002 0.0007
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0002 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0002 0.0002
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2105 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.133 0.2273
Schistosoma mansoni alpha-glucosidase 0.0169 0.1092 0.1866
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.133 0.2273
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0002 0.0002
Brugia malayi vesicular acetylcholine transporter unc-17 0.0718 0.5853 0.5853
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0002 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0145 0.0145
Onchocerca volvulus 0.0286 0.2105 0.3597
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.133 0.133
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0002 0.0007
Brugia malayi Pre-SET motif family protein 0.0251 0.1804 0.1804
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2034 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0002 0.0007
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0002 0.0002
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0002 0.0002
Echinococcus granulosus vesicular acetylcholine transporter 0.0718 0.5853 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0718 0.5853 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0718 0.5853 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0002 0.0007
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1804 0.1804
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0002 0.0003
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0002 0.0003
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0002 0.0007
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.133 0.133
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.133 0.2273
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0002 0.0002
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0002 0.0007
Schistosoma mansoni alpha glucosidase 0.0044 0.0002 0.0003
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0002 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0145 0.0145
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0145 0.0145

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 4.4668 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 15.8489 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 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) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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) 89.1251 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) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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