Detailed information for compound 1338206

Basic information

Technical information
  • TDR Targets ID: 1338206
  • Name: N-(4,6-dimethylpyridin-2-yl)-2-(4-nitrophenyl )acetamide
  • MW: 285.298 | Formula: C15H15N3O3
  • H donors: 1 H acceptors: 4 LogP: 2.55 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(C)cc(n1)C)Cc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C15H15N3O3/c1-10-7-11(2)16-14(8-10)17-15(19)9-12-3-5-13(6-4-12)18(20)21/h3-8H,9H2,1-2H3,(H,16,17,19)
  • InChiKey: XXNWRQDXVBQYAC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4,6-dimethyl-2-pyridyl)-2-(4-nitrophenyl)acetamide
  • N-(4,6-dimethylpyridin-2-yl)-2-(4-nitrophenyl)ethanamide
  • IVK/9021249
  • AK-968/40425216
  • ZINC00370125
  • MLS000626942
  • N-(4,6-dimethyl-2-pyridinyl)-2-(4-nitrophenyl)acetamide
  • SMR000272067
  • Oprea1_041793

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 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
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
Giardia lamblia Histone methyltransferase HMT2 0.0001 0 0.5
Giardia lamblia Set-2, putative 0.0001 0 0.5
Onchocerca volvulus 0.0236 0.8487 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.1035 0.6756
Trichomonas vaginalis set domain proteins, putative 0.0236 0.8487 1
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0182 0.6548 1
Onchocerca volvulus 0.0043 0.1532 0.1805
Brugia malayi Muscleblind-like protein 0.018 0.648 0.8696
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1532 0.1805
Mycobacterium ulcerans hypothetical protein 0.0043 0.1532 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1035 0.1581
Loa Loa (eye worm) hypothetical protein 0.003 0.1035 0.1389
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1532 0.2339
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1532 0.1805
Loa Loa (eye worm) hypothetical protein 0.0043 0.1532 0.2056
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1532 0.1805
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0182 0.6548 1
Brugia malayi Pre-SET motif family protein 0.0207 0.7452 1
Brugia malayi hypothetical protein 0.0182 0.6548 0.8787
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0207 0.7452 1
Brugia malayi Serine/threonine-protein kinase SULU 0.0182 0.6548 0.8787
Plasmodium falciparum histone-lysine N-methyltransferase SET2 0.0001 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1532 1
Entamoeba histolytica hypothetical protein 0.0001 0 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.1532 0.2056
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1532 0.2339
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1532 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1035 0.1581
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0001 0 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1532 0.2339
Onchocerca volvulus 0.003 0.1035 0.122
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1532 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.1035 0.1581
Loa Loa (eye worm) hypothetical protein 0.0043 0.1532 0.2056
Giardia lamblia Hypothetical protein 0.0001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1532 0.2056
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0182 0.6548 0.8787
Brugia malayi Pre-SET motif family protein 0.003 0.1035 0.1389
Loa Loa (eye worm) hypothetical protein 0.0043 0.1532 0.2056
Entamoeba histolytica hypothetical protein 0.0001 0 0.5
Giardia lamblia Histone methyltransferase HMT1 0.0001 0 0.5
Echinococcus granulosus muscleblind protein 0.018 0.648 0.9897
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1532 0.5
Giardia lamblia hypothetical protein 0.0001 0 0.5
Onchocerca volvulus 0.0043 0.1532 0.1805
Brugia malayi beta-lactamase 0.0043 0.1532 0.2056
Mycobacterium ulcerans beta-lactamase 0.0043 0.1532 0.5
Plasmodium falciparum SET domain protein, putative 0.0001 0 0.5
Loa Loa (eye worm) beta-lactamase 0.0043 0.1532 0.2056
Leishmania major hypothetical protein, conserved 0.0043 0.1532 1
Loa Loa (eye worm) hypothetical protein 0.018 0.648 0.8696
Loa Loa (eye worm) hypothetical protein 0.0043 0.1532 0.2056
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1532 0.1805
Entamoeba histolytica hypothetical protein, conserved domain containing 0.0001 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0001 0 0.5
Giardia lamblia Hypothetical protein 0.0001 0 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.1035 0.1581
Plasmodium falciparum histone-lysine N-methyltransferase SET7 0.0001 0 0.5
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0001 0 0.5
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1532 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.1035 0.1581
Onchocerca volvulus 0.0043 0.1532 0.1805
Echinococcus multilocularis muscleblind protein 0.018 0.648 0.9897
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1532 0.1805
Loa Loa (eye worm) hypothetical protein 0.018 0.648 0.8696
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1532 0.2339
Trichomonas vaginalis esterase, putative 0.0043 0.1532 0.1805
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1532 0.2056
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1532 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.1035 0.1581
Toxoplasma gondii ABC1 family protein 0.0043 0.1532 1
Plasmodium vivax SET domain protein, putative 0.003 0.1035 0.6756
Brugia malayi beta-lactamase family protein 0.0043 0.1532 0.2056
Chlamydia trachomatis hypothetical protein 0.0001 0 0.5
Entamoeba histolytica hypothetical protein 0.0001 0 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.1035 0.1581
Loa Loa (eye worm) hypothetical protein 0.0043 0.1532 0.2056
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1532 0.2056
Echinococcus multilocularis muscleblind protein 1 0.018 0.648 0.9897
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1532 1
Mycobacterium leprae Probable lipase LipE 0.0043 0.1532 0.5
Plasmodium falciparum SET domain protein, putative 0.0001 0 0.5
Mycobacterium ulcerans lipase LipD 0.0043 0.1532 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0995 0.152
Schistosoma mansoni serine/threonine protein kinase 0.0182 0.6548 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 15.8489 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 (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) 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.