Detailed information for compound 320418

Basic information

Technical information
  • TDR Targets ID: 320418
  • Name: N,N-dimethyl-3-[4-(3-phenyl-1,2-oxazol-5-yl)p henoxy]propan-1-amine
  • MW: 322.401 | Formula: C20H22N2O2
  • H donors: 0 H acceptors: 1 LogP: 4.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCOc1ccc(cc1)c1onc(c1)c1ccccc1)C
  • InChi: 1S/C20H22N2O2/c1-22(2)13-6-14-23-18-11-9-17(10-12-18)20-15-19(21-24-20)16-7-4-3-5-8-16/h3-5,7-12,15H,6,13-14H2,1-2H3
  • InChiKey: OQYJYAFYWVSRFV-UHFFFAOYSA-N  

Network

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Synonyms

  • N,N-dimethyl-3-[4-(3-phenylisoxazol-5-yl)phenoxy]propan-1-amine
  • N,N-dimethyl-3-[4-(3-phenyl-5-isoxazolyl)phenoxy]-1-propanamine
  • dimethyl-[3-[4-(3-phenylisoxazol-5-yl)phenoxy]propyl]amine
  • N,N-dimethyl-3-[4-(3-phenyl-5-isoxazolyl)phenoxy]propan-1-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chemokine (C-X-C motif) receptor 1 Starlite/ChEMBL 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
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) intermediate filament protein 0.0027 0.0204 0.0286
Trypanosoma brucei poly(adp-ribose) polymerase 0.0158 0.4925 1
Brugia malayi Animal haem peroxidase family protein 0.0042 0.0742 0.0773
Brugia malayi 6-phosphofructokinase 0.0109 0.315 0.3284
Echinococcus multilocularis musashi 0.0027 0.0204 0.0212
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.315 0.5912
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0186 0.0261
Brugia malayi Blistered cuticle protein 3 0.0042 0.0742 0.0773
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0109 0.315 0.5912
Leishmania major ATP-dependent phosphofructokinase 0.0109 0.315 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Echinococcus granulosus intermediate filament protein 0.0027 0.0204 0.0212
Brugia malayi hypothetical protein 0.0042 0.0742 0.0773
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0184 0.5846 0.5722
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0184 0.5846 1
Loa Loa (eye worm) animal heme peroxidase 0.0042 0.0742 0.1042
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0288 0.9594 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Schistosoma mansoni intermediate filament proteins 0.0027 0.0204 0.0212
Loa Loa (eye worm) hypothetical protein 0.0038 0.0585 0.0821
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0288 0.9594 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.029 0.0496
Loa Loa (eye worm) hypothetical protein 0.0219 0.712 1
Echinococcus multilocularis lamin 0.0027 0.0204 0.0212
Echinococcus granulosus lamin dm0 0.0027 0.0204 0.0212
Onchocerca volvulus 0.0042 0.0742 1
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0029 0.029 0.0496
Loa Loa (eye worm) hypothetical protein 0.0158 0.4925 0.6917
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.029 0.0496
Loa Loa (eye worm) phosphofructokinase 0.0109 0.315 0.4425
Brugia malayi Animal haem peroxidase family protein 0.0042 0.0742 0.0773
Plasmodium falciparum enoyl-acyl carrier reductase 0.0184 0.5846 1
Brugia malayi phosphofructokinase 0.0109 0.315 0.3284
Loa Loa (eye worm) animal heme peroxidase 0.0042 0.0742 0.1042
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0158 0.4925 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0841 0.0877
Echinococcus granulosus 6 phosphofructokinase 0.0109 0.315 0.3284
Brugia malayi Animal haem peroxidase family protein 0.0042 0.0742 0.0773
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0204 0.0286
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Brugia malayi WGR domain containing protein 0.0288 0.9594 1
Brugia malayi Cytochrome P450 family protein 0.0026 0.0175 0.0182
Onchocerca volvulus Peroxidasin homolog 0.0042 0.0742 1
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.315 0.3284
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.315 0.3284
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0113 0.3315 0.4657
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.315 0.5389
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0158 0.4925 0.5133
Schistosoma mansoni lamin 0.0027 0.0204 0.0212
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.315 0.3284
Onchocerca volvulus 0.0027 0.0204 0.2747
Trichomonas vaginalis hypothetical protein 0.0184 0.5846 1
Schistosoma mansoni peroxidasin 0.0042 0.0742 0.0773
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Brugia malayi Peroxidasin 0.0042 0.0742 0.0773
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0029 0.029 0.0303
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0158 0.4925 0.5133
Brugia malayi WGR domain containing protein 0.0158 0.4925 0.5133
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.315 0.5389
Onchocerca volvulus 0.0042 0.0742 1
Echinococcus multilocularis peroxidasin 0.0042 0.0742 0.0773
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0066 0.1609 0.1677
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0184 0.5846 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0042 0.0742 0.1042
Onchocerca volvulus Peroxidasin homolog 0.0042 0.0742 1
Echinococcus granulosus WGR domain containing protein 0.0089 0.245 0.2554
Onchocerca volvulus Chorion peroxidase homolog 0.0042 0.0742 1
Brugia malayi intermediate filament protein 0.0027 0.0204 0.0212
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0184 0.5846 1
Onchocerca volvulus Dual oxidase homolog 0.0042 0.0742 1
Schistosoma mansoni 6-phosphofructokinase 0.0109 0.315 0.3284
Onchocerca volvulus DNA ligase 3 homolog 0.0038 0.0585 0.788
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.315 0.5389
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.029 0.0496
Schistosoma mansoni lamin 0.0027 0.0204 0.0212
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0158 0.4925 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0109 0.315 1
Onchocerca volvulus Peroxidase homolog 0.0042 0.0742 1
Onchocerca volvulus 0.0027 0.0204 0.2747
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Echinococcus multilocularis 6 phosphofructokinase 0.0109 0.315 0.3284
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0184 0.5846 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Echinococcus granulosus poly adp ribose polymerase 2 0.0158 0.4925 0.5133
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0288 0.9594 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Onchocerca volvulus 0.0042 0.0742 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0184 0.5846 1
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.029 0.0496
Entamoeba histolytica phosphofructokinase, putative 0.0109 0.315 0.3284
Schistosoma mansoni peroxidasin 0.0042 0.0742 0.0773
Loa Loa (eye worm) blistered cuticle protein 3 0.0042 0.0742 0.1042
Trichomonas vaginalis phosphofructokinase, putative 0.0109 0.315 0.5389
Entamoeba histolytica hypothetical protein 0.0045 0.0841 0.0877
Echinococcus granulosus lamin 0.0027 0.0204 0.0212
Loa Loa (eye worm) hypothetical protein 0.0042 0.0742 0.1042
Echinococcus multilocularis lamin dm0 0.0027 0.0204 0.0212
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.029 0.0496
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0204 0.0212
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.315 0.4425
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0841 0.0877
Echinococcus granulosus poly (ADP ribose) polymerase 0.0045 0.0841 0.0877
Echinococcus granulosus peroxidasin 0.0042 0.0742 0.0773
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0137 0.4156 0.4332
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0184 0.5846 1
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.029 0.5
Onchocerca volvulus Peroxidase homolog 0.0042 0.0742 1
Brugia malayi Animal haem peroxidase family protein 0.0042 0.0742 0.0773
Loa Loa (eye worm) 6-phosphofructokinase 0.0109 0.315 0.4425
Trichomonas vaginalis phosphofructokinase, putative 0.0029 0.029 0.0496
Loa Loa (eye worm) animal heme peroxidase 0.0042 0.0742 0.1042
Loa Loa (eye worm) hypothetical protein 0.0027 0.0204 0.0286
Echinococcus granulosus poly ADP ribose polymerase 1 0.0288 0.9594 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0089 0.245 0.2554
Brugia malayi Animal haem peroxidase family protein 0.0042 0.0742 0.0773
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0175 0.0245
Brugia malayi 6-phosphofructokinase 0.0109 0.315 0.3284

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.7 uM Inhibitory concentration against interleukin-8 receptor of human neutrophils by using [125I]-IL-8 (0.125 nM) as radioligand ChEMBL. 15261292
IC50 (binding) = 6.7 uM Inhibitory concentration against interleukin-8 receptor of human neutrophils by using [125I]-IL-8 (0.125 nM) as radioligand ChEMBL. 15261292

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

1 literature reference was collected for this gene.

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