Detailed information for compound 1319403

Basic information

Technical information
  • TDR Targets ID: 1319403
  • Name: N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-yl -4-oxobutanamide
  • MW: 320.383 | Formula: C17H24N2O4
  • H donors: 1 H acceptors: 2 LogP: 0.56 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCC(=O)N1CCOCC1)NCCOc1ccc(cc1)C
  • InChi: 1S/C17H24N2O4/c1-14-2-4-15(5-3-14)23-11-8-18-16(20)6-7-17(21)19-9-12-22-13-10-19/h2-5H,6-13H2,1H3,(H,18,20)
  • InChiKey: ATPQWXBZFPRURL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(4-methylphenoxy)ethyl]-4-morpholino-4-oxo-butanamide
  • N-[2-(4-methylphenoxy)ethyl]-4-morpholino-4-oxobutanamide
  • 4-keto-N-[2-(4-methylphenoxy)ethyl]-4-morpholino-butyramide
  • N-[2-(4-methylphenoxy)ethyl]-4-morpholin-4-yl-4-oxo-butanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus regulator of G protein signaling 7 0.0035 0.0043 0.0083
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.1847 0.2743
Schistosoma mansoni dishevelled 0.0035 0.0043 0.0064
Schistosoma mansoni dishevelled 0.0035 0.0043 0.0064
Echinococcus granulosus tar DNA binding protein 0.0515 0.5146 1
Schistosoma mansoni regulator of G protein signaling 0.0035 0.0043 0.0064
Brugia malayi N-terminal motif family protein 0.0714 0.7269 0.7269
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0016 0.0031
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0016 0.0016
Echinococcus granulosus geminin 0.0205 0.1847 0.3588
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0307 0.2938 0.5708
Brugia malayi RNA recognition motif domain containing protein 0.0515 0.5146 0.5146
Echinococcus multilocularis tar DNA binding protein 0.0515 0.5146 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0307 0.2938 0.2938
Schistosoma mansoni smad 0.0033 0.0016 0.0024
Echinococcus multilocularis segment polarity protein dishevelled 0.0035 0.0043 0.0083
Echinococcus granulosus regulator of G protein signaling 7 0.0035 0.0043 0.0083
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0307 0.2938 0.5708
Brugia malayi Calcitonin receptor-like protein seb-1 0.0971 1 1
Toxoplasma gondii hypothetical protein 0.0035 0.0043 1
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0035 0.0043 0.0083
Schistosoma mansoni tar DNA-binding protein 0.0515 0.5146 0.7645
Loa Loa (eye worm) RNA binding protein 0.0515 0.5146 0.5146
Brugia malayi regulator of G-protein signaling egl-10 0.0035 0.0043 0.0043
Echinococcus granulosus segment polarity protein dishevelled 0.0035 0.0043 0.0083
Brugia malayi MH2 domain containing protein 0.0479 0.4766 0.4766
Schistosoma mansoni z-protein (S1r protein) 0.0035 0.0043 0.0064
Echinococcus multilocularis regulator of G protein signaling 7 0.0035 0.0043 0.0083
Echinococcus multilocularis smad 0.0033 0.0016 0.0031
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0016 0.0031
Echinococcus multilocularis geminin 0.0205 0.1847 0.3588
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0016 0.0024
Echinococcus multilocularis GPCR, family 2 0.0307 0.2938 0.5708
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0307 0.2938 0.5708
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0035 0.0043 0.0064
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0016 0.0016
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0016 0.0031
Brugia malayi TAR-binding protein 0.0515 0.5146 0.5146
Brugia malayi MH1 domain containing protein 0.0033 0.0016 0.0016
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0515 0.5146 0.7645
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0 0.5
Schistosoma mansoni hypothetical protein 0.0307 0.2938 0.4364
Echinococcus granulosus GPCR family 2 0.0307 0.2938 0.5708
Schistosoma mansoni dep domain containing protein 0.0035 0.0043 0.0064
Brugia malayi MH2 domain containing protein 0.0033 0.0016 0.0016
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0307 0.2938 0.2938
Schistosoma mansoni tar DNA-binding protein 0.0515 0.5146 0.7645
Loa Loa (eye worm) DIX domain-containing protein 0.0035 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0664 0.6731 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0515 0.5146 0.5146
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0016 0.0031
Brugia malayi hypothetical protein 0.0035 0.0043 0.0043
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0714 0.7269 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0664 0.6731 0.6731
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0971 1 1
Echinococcus granulosus segment polarity protein dishevelled 0.0035 0.0043 0.0083
Brugia malayi Smad1 0.0033 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0971 1 1
Schistosoma mansoni hypothetical protein 0.0307 0.2938 0.4364
Loa Loa (eye worm) MH2 domain-containing protein 0.0479 0.4766 0.4766
Schistosoma mansoni smad1 5 8 and 0.0033 0.0016 0.0024
Schistosoma mansoni hypothetical protein 0.0307 0.2938 0.4364
Schistosoma mansoni smad1 5 8 and 0.0033 0.0016 0.0024
Brugia malayi DIX domain containing protein 0.0035 0.0043 0.0043
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0035 0.0043 0.0043
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0 0.5
Brugia malayi Latrophilin receptor protein 2 0.0307 0.2938 0.2938
Brugia malayi hypothetical protein 0.0035 0.0043 0.0043
Schistosoma mansoni smad1 5 8 and 0.0033 0.0016 0.0024
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0035 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0714 0.7269 0.7269
Loa Loa (eye worm) Smad1 0.0033 0.0016 0.0016
Schistosoma mansoni hypothetical protein 0.0307 0.2938 0.4364
Echinococcus granulosus Smad4 0.0033 0.0016 0.0031
Loa Loa (eye worm) TAR-binding protein 0.0515 0.5146 0.5146
Brugia malayi MH1 domain containing protein 0.0033 0.0016 0.0016
Schistosoma mansoni tar DNA-binding protein 0.0515 0.5146 0.7645
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0307 0.2938 0.5708
Brugia malayi MH2 domain containing protein 0.0033 0.0016 0.0016
Echinococcus granulosus Pleckstrin G protein interacting region 0.0035 0.0043 0.0083
Schistosoma mansoni hypothetical protein 0.0205 0.1847 0.2743
Schistosoma mansoni Smad4 0.0033 0.0016 0.0024
Echinococcus multilocularis Smad4 0.0033 0.0016 0.0031
Brugia malayi RNA binding protein 0.0515 0.5146 0.5146
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0035 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0307 0.2938 0.2938
Echinococcus granulosus smad 0.0033 0.0016 0.0031
Echinococcus multilocularis regulator of G protein signaling 7 0.0035 0.0043 0.0083
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0479 0.4766 0.4766
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0664 0.6731 0.6731
Schistosoma mansoni tar DNA-binding protein 0.0515 0.5146 0.7645
Echinococcus multilocularis segment polarity protein dishevelled 0.0035 0.0043 0.0083
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3078 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 18.526 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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