Detailed information for compound 1378479

Basic information

Technical information
  • TDR Targets ID: 1378479
  • Name: 5-methyl-3-phenyl-N-(3-phenylpropyl)-1,2-oxaz ole-4-carboxamide
  • MW: 320.385 | Formula: C20H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c(C)onc1c1ccccc1)NCCCc1ccccc1
  • InChi: 1S/C20H20N2O2/c1-15-18(19(22-24-15)17-12-6-3-7-13-17)20(23)21-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,21,23)
  • InChiKey: CJABHCAWOAYREG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-methyl-3-phenyl-N-(3-phenylpropyl)isoxazole-4-carboxamide
  • 5-methyl-3-phenyl-N-(3-phenylpropyl)-4-isoxazolecarboxamide
  • ST040954
  • ZINC02751602

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
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 kinesin family 1 0.041 1 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0053 0.0737 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0848 0.0793
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0848 0.0793
Brugia malayi mbt repeat family protein 0.0058 0.0848 0.455
Loa Loa (eye worm) hypothetical protein 0.0046 0.0556 0.3541
Onchocerca volvulus 0.0058 0.0848 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0479 0.0422
Entamoeba histolytica kinesin, putative 0.0053 0.0737 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0848 0.0793
Schistosoma mansoni hypothetical protein 0.035 0.8437 0.9791
Plasmodium vivax kinesin-5 0.0053 0.0737 0.5
Loa Loa (eye worm) kinesin-like protein KLP2 0.0053 0.0737 0.4696
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0479 0.0422
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5242 0.5213
Giardia lamblia Kinesin-5 0.0053 0.0737 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0848 0.5404
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.006 0.0069
Loa Loa (eye worm) MBCTL1 0.0066 0.1055 0.6722
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0848 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1224 0.1171
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1055 0.5868
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1055 0.1001
Loa Loa (eye worm) hypothetical protein 0.0049 0.063 0.4014
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0848 0.0984
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1055 0.1001
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5242 0.5213
Brugia malayi Bromodomain containing protein 0.0091 0.1703 1
Schistosoma mansoni hypothetical protein 0.0357 0.8617 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.1336 0.155
Loa Loa (eye worm) hypothetical protein 0.0066 0.1055 0.6722
Schistosoma mansoni kinesin eg-5 0.0053 0.0737 0.0855
Brugia malayi Kinesin motor domain containing protein 0.0053 0.0737 0.3842
Loa Loa (eye worm) hypothetical protein 0.0085 0.1569 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0848 0.0793
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1055 0.1001
Plasmodium falciparum kinesin-5 0.0053 0.0737 0.5
Brugia malayi mbt repeat family protein 0.0058 0.0848 0.455
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1055 0.1224
Brugia malayi Bromodomain containing protein 0.0046 0.0553 0.2673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1224 0.1171
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0848 0.0984
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1055 0.1001
Loa Loa (eye worm) hypothetical protein 0.0052 0.069 0.4395
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0848 0.5404
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0848 0.0984

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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