Detailed information for compound 1453129

Basic information

Technical information
  • TDR Targets ID: 1453129
  • Name: N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiaz ol-5-yl]methyl]-2-(phenoxy)acetamide
  • MW: 337.372 | Formula: C19H19N3O3
  • H donors: 0 H acceptors: 3 LogP: 3.2 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)c1noc(n1)CN(C(=O)COc1ccccc1)C
  • InChi: 1S/C19H19N3O3/c1-14-7-6-8-15(11-14)19-20-17(25-21-19)12-22(2)18(23)13-24-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3
  • InChiKey: KKQRWGLULMCGPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(phenoxy)ethanamide
  • ZINC05388686

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1148
Schistosoma mansoni tar DNA-binding protein 0.0185 0.8222 1
Schistosoma mansoni tar DNA-binding protein 0.0185 0.8222 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1148
Leishmania major hypothetical protein, conserved 0.0035 0.0944 0.5
Mycobacterium ulcerans beta-lactamase 0.0035 0.0944 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1591 0.1934
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0944 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0944 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0944 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0944 0.5
Brugia malayi RNA binding protein 0.0185 0.8222 1
Onchocerca volvulus 0.0035 0.0944 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0944 0.1148
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0944 0.5
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0944 0.1148
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1148
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1932 0.235
Echinococcus multilocularis tar DNA binding protein 0.0185 0.8222 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1932 0.235
Brugia malayi beta-lactamase family protein 0.0035 0.0944 0.1148
Onchocerca volvulus 0.0035 0.0944 0.5
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0944 0.5
Mycobacterium ulcerans lipase LipD 0.0035 0.0944 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.0944 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1148
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0944 0.1148
Schistosoma mansoni tar DNA-binding protein 0.0185 0.8222 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.4865 0.5917
Brugia malayi RNA recognition motif domain containing protein 0.0185 0.8222 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0944 0.5
Brugia malayi beta-lactamase 0.0035 0.0944 0.1148
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0944 0.1148
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1932 0.235
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1932 0.235
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0944 0.5
Schistosoma mansoni tar DNA-binding protein 0.0185 0.8222 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1932 0.235
Echinococcus granulosus tar DNA binding protein 0.0185 0.8222 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1591 0.1934
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1932 0.235
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0944 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0944 0.1148
Toxoplasma gondii ABC1 family protein 0.0035 0.0944 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.4865 0.5917
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0944 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0944 0.1148
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0944 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1591 0.1934
Loa Loa (eye worm) beta-lactamase 0.0035 0.0944 0.1148
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0944 0.1148
Loa Loa (eye worm) RNA binding protein 0.0185 0.8222 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1148
Schistosoma mansoni tar DNA-binding protein 0.0185 0.8222 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1932 0.235
Loa Loa (eye worm) hypothetical protein 0.0035 0.0944 0.1148
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1591 0.1934
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1932 0.235
Trichomonas vaginalis esterase, putative 0.0035 0.0944 0.5
Onchocerca volvulus 0.0035 0.0944 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0944 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0854 0.1039
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0854 0.1039
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0185 0.8222 1
Brugia malayi TAR-binding protein 0.0185 0.8222 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0854 0.1039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1932 0.235
Mycobacterium ulcerans hypothetical protein 0.0035 0.0944 0.5
Loa Loa (eye worm) TAR-binding protein 0.0185 0.8222 1
Brugia malayi MH2 domain containing protein 0.0116 0.4865 0.5917

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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

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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