Detailed information for compound 1543028

Basic information

Technical information
  • TDR Targets ID: 1543028
  • Name: 2-[2-(2-methoxyphenyl)ethenyl]-1H-benzimidazo le
  • MW: 250.295 | Formula: C16H14N2O
  • H donors: 1 H acceptors: 1 LogP: 3.76 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1/C=C/c1nc2c([nH]1)cccc2
  • InChi: 1S/C16H14N2O/c1-19-15-9-5-2-6-12(15)10-11-16-17-13-7-3-4-8-14(13)18-16/h2-11H,1H3,(H,17,18)/b11-10+
  • InChiKey: PMAUBGABAFCIRA-ZHACJKMWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1H-benzimidazole
  • 2-[2-(2-methoxyphenyl)vinyl]-1H-benzimidazole
  • 2-[(E)-2-(2-methoxyphenyl)vinyl]-1H-benzimidazole
  • BAS 10319324
  • ZINC03904664
  • 2-[2-(2-Methoxy-phenyl)-vinyl]-1H-benzoimidazole

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 histone acetyltransferase KAT2B 0.0152 0.184 0.184
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Schistosoma mansoni eyes absent homolog 0.0098 0.1029 0.1029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0507 0.0507
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0461 0.0461
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0177 0.2227 0.2227
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0156 0.1906 0.1906
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0507 0.0507
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.0979 0.2125
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.171 0.303
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0241 0.0556
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Leishmania major carbonic anhydrase-like protein 0.0177 0.2227 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0461 0.1153
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0461 0.0461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0507 0.127
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0061 0.0476 0.0476
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0241 0.2991
Treponema pallidum fructose-bisphosphate aldolase 0.0293 0.3975 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0177 0.2227 0.2227
Schistosoma mansoni lipoxygenase 0.0061 0.0476 0.0476
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Brugia malayi hypothetical protein 0.0098 0.1029 0.2576
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0177 0.2227 0.2227
Loa Loa (eye worm) hypothetical protein 0.0083 0.0807 0.2019
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.035 0.1115
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.0979 0.2449
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0317 0.4337 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0083 0.0807 0.2019
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0461 0.0461
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0317 0.4337 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.035 0.035
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0156 0.1906 0.1906
Loa Loa (eye worm) glutaminase 2 0.0295 0.3995 1
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0568 0.0568
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.035 0.035
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0507 0.0507
Echinococcus granulosus tar DNA binding protein 0.0064 0.0507 0.0507
Loa Loa (eye worm) hypothetical protein 0.0083 0.0807 0.2019
Schistosoma mansoni glutaminase 0.0295 0.3995 0.3995
Schistosoma mansoni carbonic anhydrase 0.0083 0.0807 0.0807
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0507 0.0507
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.035 0.035
Brugia malayi mbt repeat family protein 0.0053 0.035 0.0875
Plasmodium falciparum carbonic anhydrase 0.0083 0.0807 0.15
Brugia malayi Pre-SET motif family protein 0.0209 0.27 0.6759
Echinococcus granulosus carbonic anhydrase 0.0083 0.0807 0.0807
Loa Loa (eye worm) acetyltransferase 0.0156 0.1906 0.477
Echinococcus granulosus geminin 0.017 0.2114 0.2114
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.035 0.035
Echinococcus multilocularis carbonic anhydrase 0.0083 0.0807 0.0807
Brugia malayi TAR-binding protein 0.0064 0.0507 0.127
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0507 0.127
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0177 0.2227 0.5575
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.0979 0.2473
Loa Loa (eye worm) hypothetical protein 0.0098 0.1029 0.2576
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0209 0.2707 0.2707
Brugia malayi glutaminase DH11.1 0.0295 0.3995 1
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.006 0.0461 0.1153
Schistosoma mansoni hypothetical protein 0.017 0.2114 0.2114
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.035 0.035
Loa Loa (eye worm) hypothetical protein 0.0168 0.2088 0.5225
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3975 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0461 0.0461
Echinococcus multilocularis carbonic anhydrase 0.0083 0.0807 0.0807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Loa Loa (eye worm) hypothetical protein 0.0083 0.0807 0.2019
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.035 0.0875
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Echinococcus granulosus carbonic anhydrase 0.0083 0.0807 0.0807
Schistosoma mansoni carbonic anhydrase-related 0.0083 0.0807 0.0807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0083 0.0807 0.2019
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.0568 0.0568
Loa Loa (eye worm) glutaminase 0.0295 0.3995 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0241 0.2991
Toxoplasma gondii hypothetical protein 0.0083 0.0807 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0256 0.004
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.0568 0.0568
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0083 0.0807 0.2019
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0083 0.0807 0.2019
Onchocerca volvulus Serine\/threonine kinase homolog 0.0095 0.0979 0.3121
Echinococcus multilocularis microtubule associated protein 2 0.0692 1 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0177 0.2227 0.5575
Trypanosoma brucei carbonic anhydrase-like protein 0.0177 0.2227 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.0979 0.0979
Brugia malayi mbt repeat family protein 0.0053 0.035 0.0875
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.0979 0.0979
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0317 0.4337 0.5
Loa Loa (eye worm) hypothetical protein 0.0098 0.1029 0.2576
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0317 0.4337 1
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.0568 0.7048
Brugia malayi hypothetical protein 0.0168 0.2088 0.5225
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.035 0.035
Schistosoma mansoni hypothetical protein 0.0323 0.4422 0.4422
Loa Loa (eye worm) MBCTL1 0.006 0.0461 0.1153
Trichomonas vaginalis glutaminase, putative 0.0295 0.3995 1
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0507 0.127
Schistosoma mansoni carbonic anhydrase-related 0.0083 0.0807 0.0807
Giardia lamblia Kinase, PLK 0.0095 0.0979 0.2097
Schistosoma mansoni kinase 0.0048 0.0275 0.0275
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.0568 0.0568
Echinococcus multilocularis carbonic anhydrase 0.0083 0.0807 0.0807
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0177 0.2227 1
Echinococcus granulosus carbonic anhydrase II 0.0177 0.2227 0.2227
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0177 0.2227 0.5575
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0083 0.0807 0.2019
Giardia lamblia Fructose-bisphosphate aldolase 0.0293 0.3975 1
Onchocerca volvulus 0.0238 0.3136 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.0979 0.2449
Mycobacterium ulcerans glutaminase 0.0295 0.3995 0.9092
Brugia malayi acetyltransferase, GNAT family protein 0.0156 0.1906 0.477
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0256 0.004
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.27 0.6759
Loa Loa (eye worm) hypothetical protein 0.0053 0.035 0.0875
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0317 0.4337 1
Brugia malayi RNA binding protein 0.0064 0.0507 0.127
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0241 0.0241
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0061 0.0476 0.0476
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0461 0.0461
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Echinococcus granulosus carbonic anhydrase 0.0083 0.0807 0.0807
Onchocerca volvulus 0.0168 0.2088 0.6658
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.171 0.5
Loa Loa (eye worm) RNA binding protein 0.0064 0.0507 0.127
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0317 0.4337 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0293 0.3975 1
Schistosoma mansoni carbonic anhydrase-related 0.0083 0.0807 0.0807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0317 0.4337 1
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0317 0.4337 1
Schistosoma mansoni hypothetical protein 0.017 0.2114 0.2114
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0183 0.0036
Onchocerca volvulus 0.0053 0.035 0.1115
Schistosoma mansoni hypothetical protein 0.0083 0.0807 0.0807
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Schistosoma mansoni microtubule-associated protein tau 0.0692 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.0979 0.0979
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0507 0.0507
Echinococcus multilocularis geminin 0.017 0.2114 0.2114
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0177 0.2227 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.171 0.303
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0209 0.2707 0.2707
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0293 0.3975 0.9946
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0507 0.0507
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.0979 0.1964
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0177 0.2227 0.5575
Trichomonas vaginalis set domain proteins, putative 0.0238 0.3136 0.7711
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0083 0.0807 0.2019

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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