Detailed information for compound 1444883

Basic information

Technical information
  • TDR Targets ID: 1444883
  • Name: methyl 4-imidazol-1-ylbenzoate
  • MW: 202.209 | Formula: C11H10N2O2
  • H donors: 0 H acceptors: 2 LogP: 1.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)n1ccnc1
  • InChi: 1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
  • InChiKey: KUBBZTZQWIGHFH-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(1-imidazolyl)benzoic acid methyl ester
  • 4-imidazol-1-ylbenzoic acid methyl ester
  • 101184-08-1
  • methyl 4-(1H-imidazol-1-yl)benzenecarboxylate
  • ST5319746
  • ZINC00166389
  • 476811_ALDRICH
  • Methyl 4-(1H-imidazol-1-yl)benzoate
  • Bionet2_000221
  • MLS000694657
  • SMR000332960

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837

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 1,4-alpha-glucan branching enzyme 0.0371 0.3991 0.5
Onchocerca volvulus Huntingtin homolog 0.0148 0.1104 1
Trichomonas vaginalis alpha-amylase, putative 0.0836 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0744 0.8818 0.8772
Echinococcus granulosus alpha glucosidase 0.0091 0.0373 0.0298
Schistosoma mansoni hypothetical protein 0.0091 0.0373 0.0298
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0371 0.3991 0.3758
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0371 0.3991 0.3758
Mycobacterium ulcerans glycogen branching protein 0.0371 0.3991 1
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0371 0.3991 1
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0371 0.3991 1
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0371 0.3991 1
Schistosoma mansoni alpha-amylase 0.0091 0.0373 0.0298
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0091 0.0373 0.0298
Schistosoma mansoni alpha-amylase 0.0091 0.0373 0.0298
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0371 0.3991 1
Trichomonas vaginalis amylase, putative 0.0836 1 1
Schistosoma mansoni starch branching enzyme II 0.0371 0.3991 1
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0091 0.0373 0.0298
Loa Loa (eye worm) hypothetical protein 0.0198 0.1755 0.4398
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0371 0.3991 1
Trichomonas vaginalis alpha-amylase, putative 0.0836 1 1
Trichomonas vaginalis amylase, putative 0.0836 1 1
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0371 0.3991 1
Loa Loa (eye worm) alpha amylase 0.0091 0.0373 0.0934
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0371 0.3991 1
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0091 0.0373 0.5
Schistosoma mansoni alpha-amylase 0.0091 0.0373 0.0298
Loa Loa (eye worm) hypothetical protein 0.0371 0.3991 1
Brugia malayi hypothetical protein 0.0148 0.1104 0.2022
Trichomonas vaginalis alpha-amylase, putative 0.0836 1 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1104 1
Trichomonas vaginalis alpha-amylase, putative 0.0836 1 1
Trichomonas vaginalis starch branching enzyme II, putative 0.0371 0.3991 0.3758
Loa Loa (eye worm) hypothetical protein 0.0148 0.1104 0.2767
Entamoeba histolytica alpha-amylase family protein 0.0836 1 1
Schistosoma mansoni alpha-amylase 0.0091 0.0373 0.0298
Trichomonas vaginalis amylase, putative 0.0371 0.3991 0.3758
Toxoplasma gondii glycosyltransferase 0.0371 0.3991 1
Echinococcus multilocularis alpha glucosidase 0.0091 0.0373 0.0298
Schistosoma mansoni alpha-amylase 0.0091 0.0373 0.0298
Loa Loa (eye worm) hypothetical protein 0.0148 0.1104 0.2767
Loa Loa (eye worm) alpha amylase 0.0091 0.0373 0.0934
Brugia malayi ADAM-TS Spacer 1 family protein 0.0198 0.1755 0.382

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.4467 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
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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