Detailed information for compound 1552089

Basic information

Technical information
  • TDR Targets ID: 1552089
  • Name: 5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan- 2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic a cid
  • MW: 305.329 | Formula: C15H19N3O4
  • H donors: 2 H acceptors: 4 LogP: 0.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1cnc(c(c1)C(=O)O)C1=NC(C(=O)N1)(C)C(C)C
  • InChi: 1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)
  • InChiKey: NUPJIGQFXCQJBK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)pyridine-3-carboxylic acid
  • 2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-3-pyridinecarboxylic acid
  • 2-(4-isopropyl-5-keto-4-methyl-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid
  • 182636-13-1
  • 114311-32-9
  • (+-)-Imazamox
  • HSDB 7013
  • NCGC00163955-01
  • 2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-3-pyridinecarboxylic acid
  • 3-Pyridinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-5-(methoxymethyl)-
  • 5-Methoxymethyl-2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid
  • AC 299263
  • CL 299263
  • EINECS Annex I Index 613-208-00-7
  • 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid
  • Imazamox
  • Pulsar
  • Raptor
  • Raptor (herbicide)

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 3, group C, member 1 (glucocorticoid receptor) Starlite/ChEMBL No references
Raphanus raphanistrum Acetolactate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) ILVBL protein Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma mansoni acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA Get druggable targets OG5_126899 All targets in OG5_126899
Schistosoma japonicum ko:K01651 acetolactate synthase [EC2.2.1.6], putative Get druggable targets OG5_126899 All targets in OG5_126899
Candida albicans Acetolactate synthase Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) Get druggable targets OG5_126899 All targets in OG5_126899
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) Get druggable targets OG5_126899 All targets in OG5_126899
Loa Loa (eye worm) thiamine pyrophosphate enzyme Get druggable targets OG5_126899 All targets in OG5_126899
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans putative indole-3-pyruvate decarboxylase Acetolactate synthase   604 aa 529 aa 22.3 %
Candida albicans putative indole-3-pyruvate decarboxylase Acetolactate synthase   604 aa 529 aa 22.3 %
Onchocerca volvulus UPF0553 protein C9orf64 homolog Acetolactate synthase   604 aa 534 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans acetolactate synthase large subunit IlvB 0.0076 0.2864 0.4749
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0025 0 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0204 1 1
Mycobacterium ulcerans pyruvate or indole-3-pyruvate decarboxylase Pdc 0.0076 0.2864 0.4749
Schistosoma mansoni acetolactate synthase 0.0114 0.4953 0.4953
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0025 0 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0204 1 1
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0043 0.1021 1
Schistosoma mansoni acetolactate synthase 0.0114 0.4953 0.4953
Mycobacterium ulcerans acetolactate synthase 1 catalytic subunit 0.0133 0.603 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0204 1 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0043 0.1021 1
Schistosoma mansoni amidase 0.0204 1 1
Plasmodium falciparum acyl-CoA synthetase 0.0076 0.2864 1
Mycobacterium tuberculosis Probable oxalyl-CoA decarboxylase OxcA 0.0133 0.603 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.1021 0.1693
Loa Loa (eye worm) thiamine pyrophosphate enzyme 0.0076 0.2871 0.2871
Trypanosoma brucei phosphonopyruvate decarboxylase-like protein, putative 0.0043 0.1021 1
Mycobacterium leprae Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS) 0.0133 0.603 1
Trypanosoma cruzi phosphonopyruvate decarboxylase, putative 0.0043 0.1021 1
Brugia malayi Thiamine pyrophosphate enzyme, central domain containing protein 0.0133 0.603 0.603
Mycobacterium tuberculosis Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS) 0.0133 0.603 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) ILVBL protein 0.008 0.311 0.311
Leishmania major putative pyruvate/indole-pyruvate carboxylase, putative 0.0076 0.2864 1
Mycobacterium tuberculosis Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase) 0.0057 0.1794 0.2976
Leishmania major phosphonopyruvate decarboxylase-like protein 0.0043 0.1021 0.3564
Mycobacterium ulcerans putative oxalyl-CoA decarboxylase 0.0133 0.603 1
Mycobacterium ulcerans hypothetical protein 0.0133 0.603 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0076 0.2864 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0204 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0204 1 1
Mycobacterium ulcerans acetolactate synthase 0.0076 0.2864 0.4749
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0025 0 0.5
Mycobacterium leprae PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE) 0.0133 0.603 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.776 uM Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR33 (wild radish) ChEMBL. 22431132
IC50 (binding) = 4.776 uM Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild radish) ChEMBL. 22431132
IC50 (binding) > 100 uM Inhibition of ALS Ala122Tyr mutant in ALS-herbicide-resistant Raphanus raphanistrum WARR30 (wild radish) expressing ALS Ala122Tyr mutant ChEMBL. 22431132
Potency (functional) 0.0355 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of glucocorticoid receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of androgen receptor signaling. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 68.5896 uM PubChem BioAssay. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 68.5896 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) 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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