Detailed information for compound 1365002

Basic information

Technical information
  • TDR Targets ID: 1365002
  • Name: 5-(3-methoxypropylamino)-2-[5-[(2-methylpheno xy)methyl]furan-2-yl]-1,3-oxazole-4-carbonitr ile
  • MW: 367.398 | Formula: C20H21N3O4
  • H donors: 1 H acceptors: 2 LogP: 4.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNc1oc(nc1C#N)c1ccc(o1)COc1ccccc1C
  • InChi: 1S/C20H21N3O4/c1-14-6-3-4-7-17(14)25-13-15-8-9-18(26-15)20-23-16(12-21)19(27-20)22-10-5-11-24-2/h3-4,6-9,22H,5,10-11,13H2,1-2H3
  • InChiKey: MVLJGZUOBFACEB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3-methoxypropylamino)-2-[5-[(2-methylphenoxy)methyl]-2-furyl]oxazole-4-carbonitrile
  • 5-(3-methoxypropylamino)-2-[5-[(2-methylphenoxy)methyl]-2-furyl]-4-oxazolecarbonitrile
  • D301-0284
  • NCGC00118179-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical 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
Brugia malayi TAR-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) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni bromodomain containing 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
Loa Loa (eye worm) TAR-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 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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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
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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA binding protein 0.0076 0.0638 0.2278
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0584 0.0557
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.003 0.0002
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0173 0.0173
Brugia malayi Bromodomain containing protein 0.0046 0.0264 0.0844
Mycobacterium leprae Probable Ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.0263 0.2944 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Schistosoma mansoni bromodomain containing protein 0.0076 0.0637 0.0637
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0584 0.0557
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0173 0.0145
Loa Loa (eye worm) hypothetical protein 0.0041 0.0201 0.0717
Schistosoma mansoni cytochrome b 0.0045 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0046 0.0265 0.0946
Loa Loa (eye worm) cytochrome b 0.0045 0.0251 0.0896
Schistosoma mansoni retinoic acid receptor RXR 0.0027 0.003 0.003
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0027 0.003 0.0002
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0121 0.0093
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0138 0.0138
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0638 0.0638
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0027 0.003 0.003
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.003 0.0107
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.003 0.0107
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0138 0.0109
Schistosoma mansoni coup transcription factor 0.0027 0.003 0.003
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0074 0.0607 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0027 0.003 0.0002
Echinococcus granulosus cytochrome B 0.0074 0.0607 0.0581
Echinococcus multilocularis thyroid hormone receptor alpha 0.0027 0.003 0.0002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0638 0.2278
Loa Loa (eye worm) hypothetical protein 0.0049 0.03 0.1072
Schistosoma mansoni cytochrome b 0.0074 0.0607 0.0607
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0027 0.003 0.0002
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.003 0.003
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0027 0.003 0.0002
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0027 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Brugia malayi TAR-binding protein 0.0076 0.0638 0.2194
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Schistosoma mansoni steroid hormone receptor ad4bp 0.0027 0.003 0.003
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.003 0.0107
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Brugia malayi Bromodomain containing protein 0.0091 0.0812 0.2823
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.003 0.0107
Entamoeba histolytica hypothetical protein 0.0039 0.0173 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0027 0.003 0.0107
Schistosoma mansoni thyroid hormone receptor 0.0027 0.003 0.003
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0229 0.0201
Loa Loa (eye worm) hypothetical protein 0.0085 0.0748 0.2672
Entamoeba histolytica hypothetical protein 0.0039 0.0173 0.5
Echinococcus granulosus FTZ F1 alpha 0.0027 0.003 0.0002
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Toxoplasma gondii apocytochrome b, putative 0.0074 0.0607 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0638 0.0638
Echinococcus multilocularis FTZ F1 alpha 0.0027 0.003 0.0002
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.003 0.0107
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0027 0.003 0.0002
Plasmodium vivax cytochrome b 0.0074 0.0607 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2801 1
Brugia malayi cytochrome b 0.0045 0.0251 0.0798
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0436 0.1558
Loa Loa (eye worm) hypothetical protein 0.006 0.0436 0.1558
Loa Loa (eye worm) hypothetical protein 0.0057 0.0392 0.1401
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0027 0.003 0.0002
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0138 0.16
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0392 0.0365
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.0107
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0392 0.0365
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0638 0.2278
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0638 0.0638
Schistosoma mansoni RAR-like nuclear receptor 0.0027 0.003 0.003
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0201 0.0616
Toxoplasma gondii cytochrome b 0.0074 0.0607 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0638 0.2194
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0027 0.003 0.0002
Brugia malayi Pre-SET motif family protein 0.0251 0.2801 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.003 0.0107
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0027 0.003 0.0002
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0029 0.0029
Echinococcus granulosus tar DNA binding protein 0.0076 0.0638 0.0611
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.0263 0.2944 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0201 0.0201
Plasmodium falciparum cytochrome b 0.0074 0.0607 0.5
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.0263 0.2944 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0436 0.1467
Schistosoma mansoni thyroid hormone receptor 0.0027 0.003 0.003
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0638 0.0638
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0027 0.003 0.0002
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.003 0.0002
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0173 0.0145
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0638 0.0611
Entamoeba histolytica hypothetical protein 0.0039 0.0173 0.5
Brugia malayi PHD-finger family protein 0.003 0.0064 0.0122
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0027 0.003 0.003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0436 0.1467
Entamoeba histolytica hypothetical protein 0.0039 0.0173 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0392 0.0392
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Onchocerca volvulus 0.0036 0.0138 0.0336
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0138 0.0138
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.003 0.0107
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.003 0.0002
Schistosoma mansoni nuclear hormone receptor 0.0027 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0039 0.0173 0.0173
Onchocerca volvulus 0.0286 0.323 1
Brugia malayi RNA binding protein 0.0076 0.0638 0.2194
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.003 0.0002
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0229 0.0201
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0027 0.003 0.003
Onchocerca volvulus 0.0263 0.2944 0.9107
Brugia malayi hypothetical protein 0.0039 0.0173 0.0518
Trichomonas vaginalis set domain proteins, putative 0.0286 0.323 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0027 0.003 0.0002
Brugia malayi Pre-SET motif family protein 0.0036 0.0138 0.0389
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0027 0.003 0.0002
Loa Loa (eye worm) hypothetical protein 0.0052 0.0329 0.1174
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0027 0.003 0.003
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0638 0.0638

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 10 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
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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