Detailed information for compound 826713

Basic information

Technical information
  • TDR Targets ID: 826713
  • Name: 2-(3-bromophenyl)-1-(2-methylprop-2-enyl)benz imidazole
  • MW: 327.218 | Formula: C17H15BrN2
  • H donors: 0 H acceptors: 1 LogP: 5.16 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1)c1nc2c(n1CC(=C)C)cccc2
  • InChi: 1S/C17H15BrN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10H,1,11H2,2H3
  • InChiKey: GIOGFXJDXKSPRA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00452254
  • STOCK4S-94046

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 multilocularis serine:threonine protein kinase PLK1 0.0682 0.2936 0.4211
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0869 0.3775 1
Echinococcus granulosus contactin 0.0036 0.0032 0.0046
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0017 0.0046
Trypanosoma cruzi polo-like protein kinase, putative 0.0682 0.2936 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.01 0.032 0.5
Echinococcus multilocularis Immunoglobulin 0.0151 0.0548 0.0785
Echinococcus multilocularis aurora kinase A 0.0454 0.1909 0.2738
Brugia malayi Peroxidasin 0.0032 0.0017 0.0045
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.01 0.032 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0682 0.2936 0.7776
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0042
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.01 0.032 0.5
Trypanosoma brucei polo-like protein kinase 0.0682 0.2936 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0036 0.0032 0.0046
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Echinococcus multilocularis tyrosine protein kinase otk 0.0032 0.0016 0.0023
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0036 0.0032 0.0084
Brugia malayi Immunoglobulin I-set domain containing protein 0.0869 0.3775 1
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0036 0.0032 0.0046
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.01 0.032 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0042
Loa Loa (eye worm) cytochrome P450 family protein 0.0408 0.1702 0.4509
Echinococcus granulosus peroxidasin 0.0032 0.0017 0.0024
Schistosoma mansoni nephrin 0.0171 0.0641 0.0641
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.01 0.032 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0131 0.0459 0.1215
Schistosoma mansoni tyrosine kinase 0.0114 0.0382 0.0382
Schistosoma mansoni neuroglian 0.0036 0.0032 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Echinococcus granulosus tyrosine protein kinase otk 0.0032 0.0016 0.0023
Echinococcus multilocularis neuroglian 0.0168 0.0625 0.0896
Loa Loa (eye worm) AUR protein kinase 0.0454 0.1909 0.5056
Brugia malayi Prion-like- 0.0032 0.0016 0.0042
Loa Loa (eye worm) TK/ROR protein kinase 0.0033 0.0019 0.005
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0151 0.0548 0.0785
Brugia malayi Cytochrome P450 family protein 0.0171 0.0637 0.1688
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0044 0.0068 0.018
Plasmodium falciparum serine/threonine protein kinase, putative 0.0454 0.1909 0.5
Loa Loa (eye worm) hypothetical protein 0.0154 0.0564 0.1493
Schistosoma mansoni vesicular amine transporter 0.0151 0.0548 0.0548
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0151 0.0548 0.0548
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0682 0.2936 0.4211
Echinococcus multilocularis roundabout 2 0.0036 0.0032 0.0046
Echinococcus multilocularis roundabout 2 0.0186 0.0709 0.1016
Loa Loa (eye worm) AUR protein kinase 0.0454 0.1909 0.5056
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0042
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0032 0.0016 0.0051
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0454 0.1909 0.2738
Echinococcus granulosus roundabout 2 0.0036 0.0032 0.0046
Trypanosoma brucei cytochrome P450, putative 0.0171 0.0637 0.1213
Mycobacterium leprae Conserved hypothetical protein 0.01 0.032 0.5
Schistosoma mansoni cell adhesion molecule 0.0169 0.0631 0.0631
Loa Loa (eye worm) hypothetical protein 0.0166 0.0615 0.163
Echinococcus granulosus neuroglian 0.0036 0.0032 0.0046
Entamoeba histolytica serine/threonine protein kinase, putative 0.0682 0.2936 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.01 0.032 0.5
Brugia malayi Cytochrome P450 family protein 0.0408 0.1702 0.4509
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.01 0.032 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0682 0.2936 0.2936
Trypanosoma brucei aurora B kinase 0.0454 0.1909 0.6075
Echinococcus granulosus aurora kinase A 0.0454 0.1909 0.2738
Brugia malayi Fibronectin type III domain containing protein 0.0154 0.0564 0.1493
Mycobacterium leprae putative cytochrome p450 0.01 0.032 0.5
Schistosoma mansoni cytochrome P450 0.01 0.032 0.032
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0454 0.1909 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0171 0.0637 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0114 0.0382 0.0547
Echinococcus granulosus hemicentin 1 0.0032 0.0016 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.01 0.032 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0171 0.0637 0.1213
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0016 0.0042
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Schistosoma mansoni roundabout 0.0032 0.0016 0.0016
Echinococcus multilocularis lachesin 0.0032 0.0016 0.0023
Brugia malayi hypothetical protein 0.0314 0.1283 0.3399
Loa Loa (eye worm) TK protein kinase 0.0131 0.0459 0.1215
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0036 0.0032 0.0046
Echinococcus granulosus defective proboscis extension response 0.0151 0.0548 0.0785
Schistosoma mansoni protein kinase 0.0454 0.1909 0.1909
Loa Loa (eye worm) cytochrome P450 family protein 0.0171 0.0637 0.1688
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0682 0.2936 0.7776
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0682 0.2936 1
Schistosoma mansoni titin 0.0032 0.0016 0.0016
Brugia malayi serine/threonine kinase 12 0.0454 0.1909 0.5056
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.01 0.032 0.5
Echinococcus multilocularis roundabout 2 0.0036 0.0032 0.0046
Loa Loa (eye worm) cytochrome P450 0.01 0.032 0.0848
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0033 0.0019 0.0027
Schistosoma mansoni cell adhesion molecule 0.0032 0.0016 0.0016
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0036 0.0032 0.0046
Echinococcus granulosus neuroglian 0.0168 0.0625 0.0896
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0016 0.0042
Brugia malayi Cytochrome P450 family protein 0.0171 0.0637 0.1688
Loa Loa (eye worm) hypothetical protein 0.0032 0.0017 0.0045
Schistosoma mansoni cell adhesion molecule 0.0036 0.0032 0.0032
Schistosoma mansoni septate junction protein 0.0032 0.0016 0.0016
Schistosoma mansoni cell adhesion molecule 0.0036 0.0032 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0171 0.0637 0.1688
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.01 0.032 0.5
Toxoplasma gondii aurora kinase 0.0454 0.1909 1
Trypanosoma cruzi cytochrome P450, putative 0.0171 0.0637 0.1213
Echinococcus multilocularis hemicentin 1 0.0032 0.0016 0.0023
Brugia malayi hypothetical protein 0.0154 0.0564 0.1493
Loa Loa (eye worm) hypothetical protein 0.0151 0.0549 0.1453
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.01 0.032 0.5
Brugia malayi cytochrome P450 0.01 0.032 0.0848
Echinococcus multilocularis Immunoglobulin 0.0151 0.0548 0.0785
Echinococcus granulosus twitchin 0.0176 0.0661 0.0948
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.01 0.032 0.5
Echinococcus multilocularis neuroglian 0.0036 0.0032 0.0046
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0032 0.0016 0.0042
Echinococcus multilocularis hemicentin 1 0.0032 0.0016 0.0023
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0151 0.0548 0.0548
Onchocerca volvulus 0.0687 0.296 0.9524
Echinococcus granulosus Immunoglobulin 0.0151 0.0548 0.0785
Loa Loa (eye worm) hypothetical protein 0.0154 0.0564 0.1493
Loa Loa (eye worm) hypothetical protein 0.0036 0.0032 0.0084
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0032 0.0084
Loa Loa (eye worm) hypothetical protein 0.0183 0.0692 0.1834
Brugia malayi Immunoglobulin I-set domain containing protein 0.0154 0.0564 0.1493
Leishmania major protein kinase, putative 0.0454 0.1909 0.6075
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0016 0.0042
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.01 0.032 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0016 0.0042
Echinococcus granulosus roundabout 2 0.0186 0.0709 0.1016
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0032 0.0084
Echinococcus multilocularis peroxidasin 0.0032 0.0017 0.0024
Loa Loa (eye worm) hypothetical protein 0.0151 0.0548 0.145
Onchocerca volvulus Tyrosine kinase homolog 0.072 0.3108 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0114 0.0382 0.0547
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.158 0.6971 1
Trypanosoma cruzi aurora B kinase, putative 0.0454 0.1909 0.6075
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0042
Schistosoma mansoni septate junction protein 0.0032 0.0016 0.0016
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.01 0.032 0.5
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.01 0.032 0.5
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0032 0.0016 0.0016
Brugia malayi Immunoglobulin I-set domain containing protein 0.0036 0.0032 0.0084
Echinococcus multilocularis 0.01 0.032 0.0459
Leishmania major cytochrome p450-like protein 0.0171 0.0637 0.1213
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0036 0.0032 0.0032
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.01 0.032 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0036 0.0032 0.0046
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0042
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.01 0.032 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0166 0.0615 0.0883
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.01 0.032 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0033 0.0017 0.0046
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0016 0.0042
Loa Loa (eye worm) CYP4Cod1 0.0171 0.0637 0.1688
Brugia malayi serine/threonine-protein kinase 6 0.0454 0.1909 0.5056
Onchocerca volvulus Serine\/threonine kinase homolog 0.0682 0.2936 0.9446
Echinococcus granulosus roundabout 2 0.0036 0.0032 0.0046
Trichomonas vaginalis CAMK family protein kinase 0.0682 0.2936 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0188 0.0499
Loa Loa (eye worm) AUR protein kinase 0.0454 0.1909 0.5056
Brugia malayi Cytochrome P450 family protein 0.01 0.032 0.0848
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.158 0.6971 1
Echinococcus granulosus cytochrome P450 2K1 0.01 0.032 0.0459
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0114 0.0382 0.0547
Loa Loa (eye worm) hypothetical protein 0.0314 0.1283 0.3399
Loa Loa (eye worm) hypothetical protein 0.0183 0.0692 0.1834
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0032 0.0016 0.0023
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0114 0.0382 0.0547
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.01 0.032 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.0548 0.145
Trypanosoma cruzi polo-like protein kinase, putative 0.0682 0.2936 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0032 0.0016 0.0042
Schistosoma mansoni hypothetical protein 0.01 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.0032 0.0016 0.0042
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0032 0.0016 0.0042
Giardia lamblia Kinase, PLK 0.0682 0.2936 1
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.01 0.032 0.5
Schistosoma mansoni tyrosine kinase 0.0048 0.0087 0.0087
Echinococcus granulosus lachesin 0.0032 0.0016 0.0023
Brugia malayi serine/threonine protein kinase 6 0.0454 0.1909 0.5056
Schistosoma mansoni nephrin 0.0036 0.0032 0.0032
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0033 0.0019 0.0027
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0454 0.1909 0.2738
Loa Loa (eye worm) hypothetical protein 0.0154 0.0564 0.1493
Schistosoma mansoni serine/threonine protein kinase 0.0454 0.1909 0.1909

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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