Detailed information for compound 1411685

Basic information

Technical information
  • TDR Targets ID: 1411685
  • Name: 2-methyl-1-(2-methylphenyl)benzimidazole
  • MW: 222.285 | Formula: C15H14N2
  • H donors: 0 H acceptors: 1 LogP: 3.86 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc2c(n1c1ccccc1C)cccc2
  • InChi: 1S/C15H14N2/c1-11-7-3-5-9-14(11)17-12(2)16-13-8-4-6-10-15(13)17/h3-10H,1-2H3
  • InChiKey: SSBFZPSUBJGZCL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00232043
  • MLS000110411
  • EU-0001776
  • SMR000106341

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0085 0.5 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0085 0.5 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0085 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0085 0.5 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0085 0.5 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0085 0.5 0.5
Onchocerca volvulus 0.0085 0.5 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0085 0.5 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0085 0.5 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0085 0.5 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0085 0.5 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0085 0.5 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0085 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0085 0.5 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0085 0.5 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0085 0.5 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0085 0.5 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0085 0.5 0.5
Schistosoma mansoni thyroid hormone receptor 0.0085 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0085 0.5 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0085 0.5 0.5
Brugia malayi nuclear hormone receptor 0.0085 0.5 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0085 0.5 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0085 0.5 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0085 0.5 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0085 0.5 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Schistosoma mansoni coup transcription factor 0.0085 0.5 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0085 0.5 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0085 0.5 0.5
Schistosoma mansoni nuclear hormone receptor 0.0085 0.5 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0085 0.5 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0085 0.5 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0085 0.5 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0085 0.5 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0085 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.5 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0085 0.5 0.5
Brugia malayi steroid hormone receptor 0.0085 0.5 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0085 0.5 0.5
Brugia malayi nuclear receptor NHR-88 0.0085 0.5 0.5
Echinococcus granulosus FTZ F1 alpha 0.0085 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 192.884 uM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Internal-Standard_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] ChEMBL. No reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.99 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum 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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