Detailed information for compound 1338254

Basic information

Technical information
  • TDR Targets ID: 1338254
  • Name: 2-furan-2-yl-1-(phenylmethyl)imidazole
  • MW: 224.258 | Formula: C14H12N2O
  • H donors: 0 H acceptors: 1 LogP: 2.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)Cn1ccnc1c1ccco1
  • InChi: 1S/C14H12N2O/c1-2-5-12(6-3-1)11-16-9-8-15-14(16)13-7-4-10-17-13/h1-10H,11H2
  • InChiKey: XDSFJXOLVUTTJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-furyl)-1-(phenylmethyl)imidazole
  • 1-(benzyl)-2-(2-furyl)imidazole
  • 1-benzyl-2-(2-furyl)-1H-imidazole
  • MLS000064026
  • SMR000075800
  • ZINC00619836

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens breast cancer 1, early onset 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
Giardia lamblia Replication factor C, subunit 1 0.0012 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0 0.5
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.3285 1 1
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0 0.5
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.3285 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.3285 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Echinococcus granulosus MAP kinase activated protein kinase 2 0.3285 1 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0 0.5
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0012 0 0.5
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Toxoplasma gondii ATPase, AAA family protein 0.0012 0 0.5
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Onchocerca volvulus 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0012 0 0.5
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 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

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.

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