Detailed information for compound 1486681

Basic information

Technical information
  • TDR Targets ID: 1486681
  • Name: N-(2,3-dimethylphenyl)-2-[2-[2-oxo-2-(phenylm ethylamino)ethyl]sulfanylbenzimidazol-1-yl]ac etamide
  • MW: 458.575 | Formula: C26H26N4O2S
  • H donors: 2 H acceptors: 3 LogP: 4.86 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nc2c(n1CC(=O)Nc1cccc(c1C)C)cccc2)NCc1ccccc1
  • InChi: 1S/C26H26N4O2S/c1-18-9-8-13-21(19(18)2)28-24(31)16-30-23-14-7-6-12-22(23)29-26(30)33-17-25(32)27-15-20-10-4-3-5-11-20/h3-14H,15-17H2,1-2H3,(H,27,32)(H,28,31)
  • InChiKey: KVMQNPADEUCCHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,3-dimethylphenyl)-2-[2-[[2-oxo-2-(phenylmethylamino)ethyl]thio]-1-benzimidazolyl]acetamide
  • 2-[2-[[2-(benzylamino)-2-keto-ethyl]thio]benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
  • N-(2,3-dimethylphenyl)-2-[2-[2-oxo-2-(phenylmethylamino)ethyl]sulfanylbenzimidazol-1-yl]ethanamide
  • G534-0499
  • NCGC00131755-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor 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
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) animal heme peroxidase 0.0027 0.2319 0.2394
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.6906 0.6906
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Brugia malayi Animal haem peroxidase family protein 0.0027 0.2319 0.2319
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0018 0.1167 0.1167
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0018 0.1167 0.1167
Schistosoma mansoni hypothetical protein 0.0041 0.4289 0.5449
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.1253 0.1293
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0018 0.1167 0.1167
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.7118 0.9043
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0018 0.1167 0.1167
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0018 0.1167 0.1483
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.6906 0.6906
Brugia malayi Animal haem peroxidase family protein 0.0027 0.2319 0.2319
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.2319 0.2394
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0018 0.1167 0.1167
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0018 0.1167 0.1483
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0018 0.1167 0.1167
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0018 0.1167 0.1167
Onchocerca volvulus Peroxidasin homolog 0.0027 0.2319 0.3068
Brugia malayi excitatory GABA receptor EXP-1A 0.0018 0.1167 0.1167
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0844 0.0871
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Schistosoma mansoni hypothetical protein 0.0019 0.1253 0.1592
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Onchocerca volvulus 0.0027 0.2319 0.3068
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0844 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0018 0.1167 0.1167
Echinococcus multilocularis glycine receptor subunit beta 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0844 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0018 0.1167 0.1167
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.1167 0.1167
Brugia malayi Latrophilin receptor protein 2 0.0019 0.1253 0.1253
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0018 0.1167 0.1483
Brugia malayi Peroxidasin 0.0027 0.2319 0.2319
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Echinococcus multilocularis peroxidasin 0.0027 0.2319 0.2319
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0018 0.1167 0.1167
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0844 0.5
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0844 0.0844
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.1167 0.1167
Echinococcus multilocularis nAChR subunit 0.0018 0.1167 0.1167
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.2319 0.2394
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.7118 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0018 0.1167 0.1205
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.1253 0.1253
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0844 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.1253 0.1592
Brugia malayi Animal haem peroxidase family protein 0.0027 0.2319 0.2319
Onchocerca volvulus Putative nachr subunit 0.0018 0.1167 0.1544
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 1 1
Loa Loa (eye worm) ACC-1 protein 0.0018 0.1167 0.1205
Onchocerca volvulus 0.0018 0.1167 0.1544
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0844 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.6906 0.7128
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.7118 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Echinococcus granulosus glycine receptor subunit alpha 1 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Loa Loa (eye worm) LGC-31 protein 0.0018 0.1167 0.1205
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.7118 0.7118
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Echinococcus granulosus glycine receptor subunit beta 0.0018 0.1167 0.1167
Echinococcus granulosus GPCR family 2 0.0019 0.1253 0.1253
Onchocerca volvulus Peroxidase homolog 0.0027 0.2319 0.3068
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0018 0.1167 0.1205
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.1167 0.1167
Loa Loa (eye worm) ACC-1 protein 0.0018 0.1167 0.1205
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0018 0.1167 0.1167
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.1167 0.1167
Schistosoma mansoni hypothetical protein 0.0067 0.7871 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0018 0.1167 0.1167
Entamoeba histolytica hypothetical protein 0.001 0 0.5
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0018 0.1167 0.1483
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.7118 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.4289 0.4427
Echinococcus multilocularis GPCR, family 2 0.0019 0.1253 0.1253
Schistosoma mansoni hypothetical protein 0.0019 0.1253 0.1592
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Brugia malayi isocitrate dehydrogenase 0.0016 0.0844 0.0844
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0844 0.0844
Brugia malayi hypothetical protein 0.0065 0.756 0.756
Brugia malayi Cation transporter family protein 0.0018 0.1167 0.1167
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0844 0.0844
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0018 0.1167 0.1205
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.1253 0.1253
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.6906 0.7128
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0844 0.5
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0018 0.1167 0.1167
Onchocerca volvulus 0.0018 0.1167 0.1544
Echinococcus multilocularis glycine receptor subunit beta 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.008 0.9689 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Echinococcus granulosus nAChR subunit 0.0018 0.1167 0.1167
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0018 0.1167 0.1167
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0844 0.0844
Echinococcus granulosus glycine receptor subunit beta 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0844 0.1072
Schistosoma mansoni hypothetical protein 0.0019 0.1253 0.1592
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0018 0.1167 0.1205
Onchocerca volvulus 0.0018 0.1167 0.1544
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0018 0.1167 0.1167
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.7118 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0018 0.1167 0.1483
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0018 0.1167 0.1167
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.1167 0.1167
Brugia malayi Cation transporter family protein 0.0018 0.1167 0.1167
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Brugia malayi Animal haem peroxidase family protein 0.0027 0.2319 0.2319
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0018 0.1167 0.1205
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0844 0.0844
Brugia malayi Cation transporter family protein 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0018 0.1167 0.1167
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0018 0.1167 0.1167
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.1253 0.1253
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0018 0.1167 0.1167
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0018 0.1167 0.1167
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0018 0.1167 0.1167
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.7118 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Onchocerca volvulus 0.0018 0.1167 0.1544
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.2319 0.2394
Echinococcus granulosus peroxidasin 0.0027 0.2319 0.2319
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0018 0.1167 0.1205
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.1253 0.1253
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.2319 0.2394
Echinococcus granulosus glycine receptor subunit alpha 1 0.0018 0.1167 0.1167
Echinococcus granulosus glycine receptor subunit alpha 1 0.0018 0.1167 0.1167
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0018 0.1167 0.1167
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.4289 0.4289
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Onchocerca volvulus 0.0018 0.1167 0.1544
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0018 0.1167 0.1167
Onchocerca volvulus 0.0027 0.2319 0.3068
Onchocerca volvulus 0.0018 0.1167 0.1544
Onchocerca volvulus 0.0027 0.2319 0.3068
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.7118 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0844 0.0844
Onchocerca volvulus Chorion peroxidase homolog 0.0027 0.2319 0.3068
Onchocerca volvulus Peroxidasin homolog 0.0027 0.2319 0.3068
Brugia malayi Animal haem peroxidase family protein 0.0027 0.2319 0.2319
Echinococcus multilocularis jun protein 0.0083 1 1
Onchocerca volvulus 0.0065 0.756 1
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0018 0.1167 0.1167
Schistosoma mansoni nAChR subunit 0.0018 0.1167 0.1483
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.7118 0.9043
Schistosoma mansoni jun-related protein 0.0067 0.7871 1
Brugia malayi Blistered cuticle protein 3 0.0027 0.2319 0.2319
Schistosoma mansoni peroxidasin 0.0027 0.2319 0.2946
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0844 0.0844
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0018 0.1167 0.1483
Brugia malayi hypothetical protein 0.0027 0.2319 0.2319
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Schistosoma mansoni peroxidasin 0.0027 0.2319 0.2946
Loa Loa (eye worm) hypothetical protein 0.0027 0.2319 0.2394
Onchocerca volvulus Peroxidase homolog 0.0027 0.2319 0.3068
Loa Loa (eye worm) hypothetical protein 0.0019 0.1253 0.1293
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.1253 0.1253
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.7118 0.7118
Echinococcus granulosus jun protein 0.0083 1 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0018 0.1167 0.1167
Loa Loa (eye worm) hypothetical protein 0.0018 0.1167 0.1205
Onchocerca volvulus Dual oxidase homolog 0.0027 0.2319 0.3068
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0018 0.1167 0.1167

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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