Detailed information for compound 1386782

Basic information

Technical information
  • TDR Targets ID: 1386782
  • Name: 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiaz ol-5-yl]-N-(oxolan-2-ylmethyl)butanamide
  • MW: 389.445 | Formula: C20H27N3O5
  • H donors: 1 H acceptors: 3 LogP: 2.42 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1OC)c1noc(n1)CCCC(=O)NCC1CCCO1
  • InChi: 1S/C20H27N3O5/c1-3-26-16-10-9-14(12-17(16)25-2)20-22-19(28-23-20)8-4-7-18(24)21-13-15-6-5-11-27-15/h9-10,12,15H,3-8,11,13H2,1-2H3,(H,21,24)
  • InChiKey: AJZHZSFQJLVVRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofuran-2-ylmethyl)butanamide
  • 4-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-tetrahydrofuranylmethyl)butanamide
  • 4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydrofurfuryl)butyramide
  • 4-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)butanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.1937 0.2674 1
Loa Loa (eye worm) hypothetical protein 0.0714 0.0941 0.3521
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0715 0.0942 0.3523
Giardia lamblia Kinase, CMGC GSK 0.005 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.0941 1
Entamoeba histolytica hypothetical protein 0.0714 0.0941 1
Brugia malayi PXA domain containing protein 0.0714 0.0941 0.3521
Echinococcus multilocularis regulator of G protein signaling 7 0.0714 0.0941 0.0941
Plasmodium falciparum glycogen synthase kinase 3 0.005 0 0.5
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0714 0.0941 0.3521
Brugia malayi regulator of G-protein signaling egl-10 0.0714 0.0941 0.3521
Brugia malayi hypothetical protein 0.0714 0.0941 0.3521
Echinococcus granulosus beta-adrenergic receptor kinase 0.0715 0.0942 0.0942
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.0941 1
Schistosoma mansoni regulator of G protein signaling 0.1937 0.2674 1
Brugia malayi hypothetical protein 0.0714 0.0941 0.3521
Brugia malayi Regulator of G protein signaling domain containing protein 0.0714 0.0941 0.3521
Schistosoma mansoni serine/threonine protein kinase 0.0715 0.0942 0.3523
Echinococcus granulosus regulator of G protein signaling 3 0.1937 0.2674 0.2674
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0715 0.0942 0.3523
Echinococcus multilocularis axis inhibition protein axin 0.0714 0.0941 0.0941
Echinococcus multilocularis regulator of G protein signaling 0.1937 0.2674 0.2674
Schistosoma mansoni z-protein (S1r protein) 0.0714 0.0941 0.3521
Brugia malayi regulator of G-protein signaling rgs-7 0.1937 0.2674 1
Echinococcus granulosus regulator of G protein signaling 3 0.1937 0.2674 0.2674
Echinococcus granulosus Regulator of G protein signaling 20 0.0714 0.0941 0.0941
Giardia lamblia Kinase, CMGC GSK 0.005 0 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0714 0.0941 0.0941
Plasmodium vivax glycogen synthase kinase 3, putative 0.005 0 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0714 0.0941 0.0941
Echinococcus multilocularis regulator of G protein signaling 3 0.1937 0.2674 0.2674
Loa Loa (eye worm) hypothetical protein 0.0714 0.0941 0.3521
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0714 0.0941 1
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0714 0.0941 0.3521
Schistosoma mansoni axis inhibition protein axin 0.0714 0.0941 0.3521
Schistosoma mansoni regulator of G protein signaling 0.1937 0.2674 1
Loa Loa (eye worm) RGS-3 protein 0.0714 0.0941 0.3521
Loa Loa (eye worm) PXA domain-containing protein 0.0714 0.0941 0.3521
Echinococcus granulosus axis inhibition protein axin 0.0714 0.0941 0.0941
Onchocerca volvulus 0.005 0 0.5
Schistosoma mansoni axis inhibition protein axin 0.0714 0.0941 0.3521
Schistosoma mansoni regulator of G protein signaling 0.0714 0.0941 0.3521
Echinococcus multilocularis Regulator of G protein signaling 20 0.0714 0.0941 0.0941
Schistosoma mansoni serine/threonine protein kinase 0.0715 0.0942 0.3523
Echinococcus multilocularis axis inhibition protein axin 0.0714 0.0941 0.0941
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0714 0.0941 0.0941
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.005 0 0.5
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0714 0.0941 0.0941
Echinococcus multilocularis beta adrenergic receptor kinase 0.0715 0.0942 0.0942
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.0941 1
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0715 0.0942 0.3523
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.005 0 0.5
Schistosoma mansoni regulator of G protein signaling 0.0714 0.0941 0.3521
Echinococcus granulosus regulator of G protein signaling 7 0.0714 0.0941 0.0941
Echinococcus granulosus axis inhibition protein axin 0.0714 0.0941 0.0941
Entamoeba histolytica hypothetical protein 0.0714 0.0941 1
Echinococcus multilocularis regulator of G protein signaling 3 0.1937 0.2674 0.2674
Schistosoma mansoni regulator of G protein signaling 0.0714 0.0941 0.3521
Loa Loa (eye worm) hypothetical protein 0.0714 0.0941 0.3521
Echinococcus multilocularis expressed protein 0.7105 1 1
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0714 0.0941 0.3521
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0714 0.0941 0.3521
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0714 0.0941 0.3521
Entamoeba histolytica hypothetical protein 0.0714 0.0941 1
Loa Loa (eye worm) hypothetical protein 0.0714 0.0941 0.3521
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.0941 1
Brugia malayi PXA domain containing protein 0.0714 0.0941 0.3521
Schistosoma mansoni serine/threonine protein kinase 0.0715 0.0942 0.3523
Trypanosoma brucei protein kinase, putative 0.005 0 0.5
Brugia malayi Regulator of G protein signaling domain containing protein 0.0714 0.0941 0.3521
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.0941 1
Brugia malayi A-kinase anchor protein 10, precursor 0.0714 0.0941 0.3521
Trichomonas vaginalis conserved hypothetical protein 0.0714 0.0941 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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) 18.526 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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