Detailed information for compound 828266

Basic information

Technical information
  • TDR Targets ID: 828266
  • Name: 1-allyl-2-[1-(3-methylphenoxy)ethyl]benzimida zole
  • MW: 292.375 | Formula: C19H20N2O
  • H donors: 0 H acceptors: 1 LogP: 4.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCn1c(nc2c1cccc2)C(Oc1cccc(c1)C)C
  • InChi: 1S/C19H20N2O/c1-4-12-21-18-11-6-5-10-17(18)20-19(21)15(3)22-16-9-7-8-14(2)13-16/h4-11,13,15H,1,12H2,2-3H3
  • InChiKey: UTWNHJDMKKNYKQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[1-(3-methylphenoxy)ethyl]-1-prop-2-enylbenzimidazole
  • 2-[1-(3-methylphenoxy)ethyl]-1-prop-2-enyl-benzimidazole
  • ChemDiv3_015981

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 nuclear receptor nhr 48 0.0064 0.3653 0.3653
Brugia malayi nuclear hormone receptor family member odr-7 0.0064 0.3653 0.3653
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0135 1 1
Brugia malayi Cytochrome P450 family protein 0.0078 0.4988 0.4988
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0135 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0135 1 1
Brugia malayi steroid hormone receptor 0.0135 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0135 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0135 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0071 0.4332 0.4332
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0135 1 1
Schistosoma mansoni thyroid hormone receptor 0.0135 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0064 0.3653 0.3653
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0135 1 1
Schistosoma mansoni nuclear hormone receptor 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0071 0.4332 0.4332
Loa Loa (eye worm) hypothetical protein 0.0071 0.4332 0.4332
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0064 0.3653 0.3653
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1026 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0135 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0064 0.3653 0.3653
Leishmania major cytochrome p450-like protein 0.0078 0.4988 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0135 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0078 0.4988 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0135 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0023 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0023 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0135 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0023 0 0.5
Onchocerca volvulus 0.0135 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0135 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.4332 0.4332
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0023 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0023 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0135 1 1
Brugia malayi nuclear receptor NHR-88 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0064 0.3653 0.3653
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0135 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.1026 0.5
Brugia malayi Nuclear hormone receptor E75 0.0064 0.3653 0.3653
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0023 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0023 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0135 1 1
Brugia malayi Nuclear hormone receptor E75 0.0064 0.3653 0.3653
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0071 0.4332 0.4332
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.4332 0.4332
Echinococcus granulosus FTZ F1 alpha 0.0135 1 1
Schistosoma mansoni zinc finger protein 0.0064 0.3653 0.3653
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Brugia malayi nuclear receptor RXR 0.0064 0.3653 0.3653
Trypanosoma brucei cytochrome P450, putative 0.0078 0.4988 1
Schistosoma mansoni RAR-like nuclear receptor 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0064 0.3653 0.3653
Loa Loa (eye worm) steroid hormone receptor 0.0135 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0071 0.4332 0.4332
Loa Loa (eye worm) DR-78 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Mycobacterium leprae putative cytochrome p450 0.0023 0 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0071 0.4332 0.4332
Brugia malayi nuclear hormone receptor 0.0135 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0071 0.4332 0.4332
Loa Loa (eye worm) hypothetical protein 0.0032 0.0811 0.0811
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0135 1 1
Brugia malayi ecdysone receptor 0.0064 0.3653 0.3653
Trypanosoma cruzi cytochrome P450, putative 0.0078 0.4988 1
Brugia malayi orphan nuclear receptor NR2E1 0.0064 0.3653 0.3653
Schistosoma mansoni nuclear receptor 0.0064 0.3653 0.3653
Brugia malayi Steroid receptor seven-up type 2 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0135 1 1
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0135 1 1
Schistosoma mansoni thyroid hormone receptor 0.0135 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0135 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0135 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0023 0 0.5
Schistosoma mansoni nuclear receptor 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Brugia malayi hypothetical protein 0.0064 0.3653 0.3653
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0064 0.3653 0.3653
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.1241 0.1241
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0135 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0135 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0135 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0135 1 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.154 0.154
Schistosoma mansoni nuclear hormone receptor 0.0135 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0135 1 1
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0023 0 0.5
Toxoplasma gondii cytochrome p450 superfamily protein 0.0023 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0135 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0064 0.3653 0.3653
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0135 1 1
Schistosoma mansoni voltage-gated potassium channel 0.004 0.154 0.154
Brugia malayi hypothetical protein 0.0071 0.4332 0.4332
Schistosoma mansoni nuclear hormone receptor 0.0064 0.3653 0.3653
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0023 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0135 1 1
Brugia malayi hypothetical protein 0.0071 0.4332 0.4332
Onchocerca volvulus Bile acid receptor homolog 0.0135 1 1
Brugia malayi hypothetical protein 0.0064 0.3653 0.3653
Brugia malayi nuclear receptor RXR 0.0071 0.4332 0.4332
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0023 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0078 0.4988 0.4988
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0071 0.4332 0.4332
Echinococcus multilocularis thyroid hormone receptor alpha 0.0135 1 1
Brugia malayi nuclear receptor NHR-67 0.0064 0.3653 0.3653
Brugia malayi conserved hypotetical protein 0.0064 0.3653 0.3653
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0135 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.1241 0.1241
Brugia malayi Nuclear hormone receptor-like 1 0.0135 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0135 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.1241 0.1241
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0023 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0064 0.3653 0.3653
Brugia malayi nuclear receptor NHR-88 0.0135 1 1
Brugia malayi nuclear hormone receptor 0.0064 0.3653 0.3653
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.1241 0.1241
Schistosoma mansoni coup transcription factor 0.0135 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0135 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0135 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0064 0.3653 0.3653
Brugia malayi Cytochrome P450 family protein 0.0078 0.4988 0.4988
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0135 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0078 0.4988 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.4332 0.4332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0135 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0135 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0135 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0071 0.4332 0.4332
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0064 0.3653 0.3653
Brugia malayi tailless protein 0.0064 0.3653 0.3653
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Echinococcus granulosus Nuclear hormone receptor HR96 0.0064 0.3653 0.3653
Loa Loa (eye worm) cytochrome P450 family protein 0.0078 0.4988 0.4988
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0135 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0064 0.3653 0.3653
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0135 1 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0023 0 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0064 0.3653 0.3653
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0023 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.3653 0.3653
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0135 1 1
Loa Loa (eye worm) CYP4Cod1 0.0078 0.4988 0.4988
Loa Loa (eye worm) hypothetical protein 0.0135 1 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.2973 0.2973
Echinococcus granulosus Nuclear hormone receptor HR96 0.0064 0.3653 0.3653

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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.