Detailed information for compound 1303083

Basic information

Technical information
  • TDR Targets ID: 1303083
  • Name: (2,6-dichlorophenyl)methyl pyridine-4-carboxy late
  • MW: 282.122 | Formula: C13H9Cl2NO2
  • H donors: 0 H acceptors: 2 LogP: 3.45 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccncc1)OCc1c(Cl)cccc1Cl
  • InChi: 1S/C13H9Cl2NO2/c14-11-2-1-3-12(15)10(11)8-18-13(17)9-4-6-16-7-5-9/h1-7H,8H2
  • InChiKey: GVKAZENXBZSQSU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-pyridinecarboxylic acid (2,6-dichlorophenyl)methyl ester
  • isonicotinic acid (2,6-dichlorobenzyl) ester
  • 2,6-dichlorobenzyl isonicotinate
  • MLS000583681
  • SMR000199297
  • ZINC00618417
  • T0520-4659

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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 cadherin EGF LAG seven pass G type receptor 0.0065 0.1678 0.2201
Toxoplasma gondii hypothetical protein 0.0227 1 1
Schistosoma mansoni hypothetical protein 0.0065 0.1678 0.2311
Schistosoma mansoni hypothetical protein 0.0173 0.7261 1
Echinococcus multilocularis GPCR, family 2 0.0065 0.1678 0.2201
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.1678 0.2201
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0205 0.8914 1
Loa Loa (eye worm) hypothetical protein 0.014 0.5565 0.6243
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0791 0.1089
Plasmodium falciparum peptide deformylase 0.0227 1 1
Brugia malayi Latrophilin receptor protein 2 0.0065 0.1678 0.1882
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.2782 1
Echinococcus multilocularis geminin 0.0173 0.7261 0.9525
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.2782 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.1678 0.2201
Schistosoma mansoni hypothetical protein 0.0065 0.1678 0.2311
Schistosoma mansoni hypothetical protein 0.0173 0.7261 1
Schistosoma mansoni hypothetical protein 0.014 0.5565 0.7664
Loa Loa (eye worm) hypothetical protein 0.0065 0.1678 0.1882
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0791 0.0887
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.1678 0.1882
Treponema pallidum polypeptide deformylase (def) 0.0227 1 0.5
Mycobacterium ulcerans peptide deformylase 0.0227 1 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0227 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0227 1 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0227 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0791 0.0887
Brugia malayi Muscleblind-like protein 0.018 0.7623 0.8551
Loa Loa (eye worm) hypothetical protein 0.0205 0.8914 1
Echinococcus granulosus muscleblind protein 0.018 0.7623 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0791 0.1089
Trypanosoma brucei Polypeptide deformylase 1 0.0086 0.2782 1
Echinococcus granulosus GPCR family 2 0.0065 0.1678 0.2201
Echinococcus multilocularis muscleblind protein 1 0.018 0.7623 1
Plasmodium vivax peptide deformylase, putative 0.0227 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.5565 0.6243
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.2782 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0791 0.1089
Loa Loa (eye worm) hypothetical protein 0.018 0.7623 0.8551
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0791 0.1038
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.2782 1
Loa Loa (eye worm) hypothetical protein 0.018 0.7623 0.8551
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0205 0.8914 1
Schistosoma mansoni hypothetical protein 0.0065 0.1678 0.2311
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.1678 0.1882
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0791 0.1038
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0791 0.1038
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.1678 0.2201
Echinococcus granulosus geminin 0.0173 0.7261 0.9525
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0791 0.1038
Leishmania major polypeptide deformylase-like protein, putative 0.0086 0.2782 1
Schistosoma mansoni hypothetical protein 0.0065 0.1678 0.2311
Brugia malayi Calcitonin receptor-like protein seb-1 0.0205 0.8914 1
Trypanosoma brucei Peptide deformylase 2 0.0086 0.2782 1
Echinococcus multilocularis muscleblind protein 0.018 0.7623 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 11.6891 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) 35.4813 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) 100 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
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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