Detailed information for compound 261949

Basic information

Technical information
  • TDR Targets ID: 261949
  • Name: 5-methoxy-1-thiophen-2-ylbenzimidazole
  • MW: 230.286 | Formula: C12H10N2OS
  • H donors: 0 H acceptors: 1 LogP: 3.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ncn2c1cccs1
  • InChi: 1S/C12H10N2OS/c1-15-9-4-5-11-10(7-9)13-8-14(11)12-3-2-6-16-12/h2-8H,1H3
  • InChiKey: WSBDTCAGQYGFIR-UHFFFAOYSA-N  

Network

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Synonyms

  • 5-methoxy-1-(2-thienyl)benzimidazole
  • 5-methoxy-1-thiophen-2-yl-benzimidazole
  • 1-Phenylbenzimidazole deriv. 94

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens fibroblast growth factor receptor 1 Starlite/ChEMBL References
Mus musculus platelet derived growth factor receptor, beta polypeptide Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Immunoglobulin I-set domain containing protein Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus granulosus fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis fibroblast growth factor receptor 4 Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum IPR002048,Calcium-binding EF-hand;IPR001245,Tyrosine protein kinase;IPR000719,Protein kinase;IPR011009,Protein kinase-like,domai Get druggable targets OG5_128769 All targets in OG5_128769
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A Get druggable targets OG5_128769 All targets in OG5_128769
Schistosoma japonicum Fibroblast growth factor receptor precursor, putative Get druggable targets OG5_128769 All targets in OG5_128769
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_128769 All targets in OG5_128769

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 granulosus acetylcholine receptor subunit beta 1 0.0071 0.1352 0.2643
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2484 0.8342
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.286 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.0591 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.286 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0044 0.0493 0.0964
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0071 0.1352 0.2643
Entamoeba histolytica hypothetical protein 0.019 0.5116 1
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.2593 0.8463
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0071 0.1352 0.2643
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.003 0.0054 0.5
Echinococcus multilocularis nAChR subunit 0.0044 0.0493 0.0964
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.0493 0.0964
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2484 0.8342
Echinococcus multilocularis neuroglian 0.0032 0.0113 0.0221
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2593 0.5016
Echinococcus granulosus glycine receptor subunit beta 0.0071 0.1352 0.2643
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0071 0.1352 0.2643
Echinococcus granulosus nAChR subunit 0.0044 0.0493 0.0964
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0035 0.0225 0.0734
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Loa Loa (eye worm) glutathione reductase 0.0047 0.0591 0.1929
Brugia malayi hypothetical protein 0.019 0.5116 1
Entamoeba histolytica hypothetical protein 0.019 0.5116 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Onchocerca volvulus 0.0071 0.1352 1
Entamoeba histolytica hypothetical protein 0.019 0.5116 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Echinococcus granulosus fibroblast growth factor receptor 4 0.0122 0.2951 0.5768
Brugia malayi excitatory GABA receptor EXP-1A 0.0071 0.1352 0.2643
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0071 0.1352 0.2643
Schistosoma mansoni transcription factor LCR-F1 0.019 0.5116 1
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Schistosoma mansoni nephrin 0.0032 0.0113 0.0221
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0071 0.1352 0.2643
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2593 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.019 0.5116 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.2593 0.2128
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Schistosoma mansoni 6-phosphofructokinase 0.011 0.2593 0.5069
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2593 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.019 0.5116 1
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.011 0.2593 0.8823
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0044 0.0493 0.0964
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Loa Loa (eye worm) phosphofructokinase 0.011 0.2593 0.8463
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Schistosoma mansoni 6-phosphofructokinase 0.011 0.2593 0.5069
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0071 0.1352 0.2643
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Echinococcus multilocularis glycine receptor subunit beta 0.0071 0.1352 0.2643
Schistosoma mansoni cell adhesion molecule 0.0033 0.0144 0.0282
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Leishmania major ATP-dependent phosphofructokinase 0.011 0.2593 0.2128
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0071 0.1352 0.4413
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0044 0.0493 0.0964
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0071 0.1352 0.2643
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.011 0.2593 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0071 0.1352 0.2643
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0071 0.1352 0.2643
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.0591 0.1929
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0071 0.1352 0.2643
Echinococcus multilocularis roundabout 2 0.0036 0.0258 0.0504
Brugia malayi Cation transporter family protein 0.0071 0.1352 0.2643
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0071 0.1352 0.2643
Entamoeba histolytica hypothetical protein 0.019 0.5116 1
Onchocerca volvulus 0.0071 0.1352 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Onchocerca volvulus 0.0071 0.1352 1
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0071 0.1352 0.2643
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2484 0.8342
Loa Loa (eye worm) ACC-1 protein 0.0071 0.1352 0.4413
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.011 0.2593 0.2897
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.286 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.0591 1
Mycobacterium tuberculosis Probable reductase 0.0107 0.2484 0.8342
Loa Loa (eye worm) GABA receptor subunit 0.0044 0.0493 0.1609
Onchocerca volvulus 0.0071 0.1352 1
Loa Loa (eye worm) LGC-31 protein 0.0071 0.1352 0.4413
Brugia malayi 6-phosphofructokinase 0.011 0.2593 0.5069
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.2593 0.5069
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0071 0.1352 0.2643
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.286 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.2593 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0071 0.1352 0.2643
Trypanosoma brucei pteridine reductase 1 0.0345 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.0591 0.1156
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0071 0.1352 0.2643
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0054 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0071 0.1352 0.4413
Brugia malayi phosphofructokinase 0.011 0.2593 0.5069
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.0591 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Echinococcus multilocularis glycine receptor subunit beta 0.0071 0.1352 0.2643
Echinococcus granulosus nAChR subunit 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0036 0.0258 0.0841
Onchocerca volvulus 0.0071 0.1352 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0071 0.1352 0.2643
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0122 0.2951 0.5768
Schistosoma mansoni hypothetical protein 0.019 0.5116 1
Brugia malayi Cation transporter family protein 0.0071 0.1352 0.2643
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2484 0.8342
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0071 0.1352 0.4413
Loa Loa (eye worm) ACC-1 protein 0.0071 0.1352 0.4413
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0071 0.1352 0.2643
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2593 1
Toxoplasma gondii thioredoxin reductase 0.0047 0.0591 1
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Echinococcus granulosus glycine receptor subunit alpha 1 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0071 0.1352 0.2643
Onchocerca volvulus Putative nachr subunit 0.0071 0.1352 1
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.003 0.0054 0.5
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2593 0.5016
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Echinococcus granulosus glycine receptor subunit beta 0.0071 0.1352 0.2643
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0122 0.2951 0.5768
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2484 0.8342
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0071 0.1352 0.2643
Entamoeba histolytica hypothetical protein 0.0044 0.0493 0.0868
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0044 0.0493 0.0964
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2593 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0033 0.0144 0.0472
Brugia malayi Cation transporter family protein 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Echinococcus granulosus glycine receptor subunit alpha 1 0.0071 0.1352 0.2643
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0036 0.0258 0.0841
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0071 0.1352 0.2643
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0071 0.1352 0.2643
Echinococcus granulosus neuroglian 0.0032 0.0113 0.0221
Brugia malayi Thioredoxin reductase 0.0047 0.0591 0.1156
Brugia malayi Immunoglobulin I-set domain containing protein 0.0035 0.0225 0.044
Echinococcus granulosus roundabout 2 0.0036 0.0258 0.0504
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0071 0.1352 0.4413
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0071 0.1352 0.2643
Mycobacterium ulcerans 6-phosphofructokinase 0.011 0.2593 0.5
Onchocerca volvulus 0.0071 0.1352 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0122 0.2951 0.5768
Echinococcus granulosus glycine receptor subunit alpha 1 0.0071 0.1352 0.2643
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0071 0.1352 0.2643
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.2593 0.8463
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Brugia malayi Immunoglobulin I-set domain containing protein 0.0125 0.3064 0.5989
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0071 0.1352 0.2643
Loa Loa (eye worm) hypothetical protein 0.0071 0.1352 0.4413
Loa Loa (eye worm) hypothetical protein 0.0044 0.0493 0.1609
Echinococcus multilocularis nAChR subunit 0.0071 0.1352 0.2643
Brugia malayi 6-phosphofructokinase 0.011 0.2593 0.5069
Echinococcus granulosus twitchin 0.0032 0.0113 0.0221
Schistosoma mansoni neurotransmitter gated ion channel 0.0044 0.0493 0.0964
Schistosoma mansoni tyrosine kinase 0.0122 0.2951 0.5768
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0071 0.1352 0.2643
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0071 0.1352 0.2643
Loa Loa (eye worm) TK protein kinase 0.0125 0.3064 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0071 0.1352 0.2643
Brugia malayi glutathione reductase 0.0047 0.0591 0.1156
Schistosoma mansoni nAChR subunit 0.0071 0.1352 0.2643
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0071 0.1352 0.2643
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0033 0.0144 0.0282
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0071 0.1352 0.4413
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0071 0.1352 0.4413
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0044 0.0493 0.0964
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.0591 0.1156
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0071 0.1352 0.2643
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2593 0.5016
Plasmodium falciparum glutathione reductase 0.0047 0.0591 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0071 0.1352 0.2643
Echinococcus granulosus 6 phosphofructokinase 0.011 0.2593 0.5069
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0071 0.1352 0.2643
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0071 0.1352 0.2643

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.5 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing mouse platelet-derived growth factor receptor beta ChEMBL. 9876115
IC50 (binding) = 2.5 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing mouse platelet-derived growth factor receptor beta ChEMBL. 9876115
IC50 (binding) = 5.3 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing human fibroblast growth factor receptor 1 ChEMBL. 9876115
IC50 (binding) = 5.3 uM Inhibition of phosphorylation of a random glutamate/tyrosine copolymer in lysates of transfected Sf9 insect cells overexpressing human fibroblast growth factor receptor 1 ChEMBL. 9876115

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

1 literature reference was collected for this gene.

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