Detailed information for compound 1339137

Basic information

Technical information
  • TDR Targets ID: 1339137
  • Name: 1-(2-morpholin-4-ylethyl)-2-(phenylmethyl)ben zimidazole
  • MW: 321.416 | Formula: C20H23N3O
  • H donors: 0 H acceptors: 1 LogP: 2.99 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O1CCN(CC1)CCn1c(Cc2ccccc2)nc2c1cccc2
  • InChi: 1S/C20H23N3O/c1-2-6-17(7-3-1)16-20-21-18-8-4-5-9-19(18)23(20)11-10-22-12-14-24-15-13-22/h1-9H,10-16H2
  • InChiKey: HCVXPECGMMSMNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-morpholinoethyl)-2-(phenylmethyl)benzimidazole
  • 2-(benzyl)-1-(2-morpholinoethyl)benzimidazole
  • STK009616
  • MLS000107758
  • SMR000103722
  • Oprea1_159226
  • AE-907/30533032
  • 2-Benzyl-1-(2-morpholin-4-yl-ethyl)-1H-benzoimidazole
  • BAS 00619128
  • Oprea1_551395

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0187 0.5
Echinococcus multilocularis geminin 0.0205 0.1596 0.1596
Echinococcus granulosus geminin 0.0205 0.1596 0.1596
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0305 0.2943 1
Toxoplasma gondii divalent metal transporter, putative 0.0305 0.2943 1
Mycobacterium leprae DIVALENT CATION-TRANSPORT INTEGRAL MEMBRANE PROTEIN MNTH (BRAMP) (MRAMP) 0.0189 0.1383 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0099 0.0187 0.0187
Plasmodium vivax metal transporter, putative 0.0305 0.2943 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187
Plasmodium falciparum transporter, putative 0.0305 0.2943 1
Schistosoma mansoni divalent metal transporter DMT1B 0.0305 0.2943 0.2808
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187
Echinococcus granulosus divalent metal transporter DMT1B 0.0305 0.2943 0.2943
Mycobacterium tuberculosis Divalent cation-transport integral membrane protein MntH (BRAMP) (MRAMP) 0.0189 0.1383 0.5
Onchocerca volvulus Protein Malvolio homolog 0.0305 0.2943 0.5
Echinococcus multilocularis divalent metal transporter DMT1B 0.0305 0.2943 0.2943
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187
Mycobacterium ulcerans manganese transport protein MntH 0.0305 0.2943 1
Schistosoma mansoni hypothetical protein 0.0205 0.1596 0.1436
Schistosoma mansoni hypothetical protein 0.0205 0.1596 0.1436
Loa Loa (eye worm) hypothetical protein 0.0305 0.2943 1
Brugia malayi NRAMP-like transporter K11G12.4 0.0305 0.2943 1
Schistosoma mansoni divalent metal transporter DMT1B 0.0305 0.2943 0.2808
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0099 0.0187 0.0187

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1095 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.

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