Detailed information for compound 1376912

Basic information

Technical information
  • TDR Targets ID: 1376912
  • Name: N-[1-(4-methylphenyl)propyl]-5-[(6-methylpyri din-3-yl)oxymethyl]-1,2-oxazole-3-carboxamide
  • MW: 365.426 | Formula: C21H23N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.6 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1ccc(cc1)C)NC(=O)c1noc(c1)COc1ccc(nc1)C
  • InChi: 1S/C21H23N3O3/c1-4-19(16-8-5-14(2)6-9-16)23-21(25)20-11-18(27-24-20)13-26-17-10-7-15(3)22-12-17/h5-12,19H,4,13H2,1-3H3,(H,23,25)
  • InChiKey: YLDVAMMDKWVZRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridyl)oxymethyl]isoxazole-3-carboxamide
  • N-[1-(4-methylphenyl)propyl]-5-[(6-methyl-3-pyridyl)oxymethyl]-3-isoxazolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
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
Trypanosoma cruzi metacaspase, putative 0.0099 0.2262 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.5869 0.6958
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Brugia malayi Animal haem peroxidase family protein 0.0226 0.8302 1
Schistosoma mansoni hypothetical protein 0.0092 0.1939 0.1686
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Loa Loa (eye worm) hypothetical protein 0.0092 0.1939 0.2044
Toxoplasma gondii EGF family domain-containing protein 0.0058 0.0304 0.1343
Echinococcus granulosus neurogenic locus notch protein 0.0058 0.0304 0.0304
Schistosoma mansoni caspase-7 (C14 family) 0.0191 0.6646 0.6541
Loa Loa (eye worm) acetyltransferase 0.0175 0.5869 0.6958
Schistosoma mansoni caspase-3 (C14 family) 0.0262 1 1
Echinococcus granulosus caspase 2 0.0191 0.6646 0.6646
Brugia malayi Animal haem peroxidase family protein 0.0226 0.8302 1
Trypanosoma cruzi metacaspase, putative 0.0099 0.2262 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.2262 0.2448
Plasmodium vivax metacaspase 1, putative 0.0099 0.2262 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0415 0.0139
Onchocerca volvulus 0.0226 0.8302 1
Echinococcus granulosus protein jagged 2 0.0058 0.0304 0.0304
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Trypanosoma brucei metacaspase MCA2 0.0099 0.2262 0.5
Onchocerca volvulus Peroxidase homolog 0.0226 0.8302 1
Echinococcus multilocularis caspase 2 0.0191 0.6646 0.6541
Echinococcus granulosus fibropellin Ia 0.0058 0.0304 0.0304
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0099 0.2262 0.202
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2262 1
Onchocerca volvulus Peroxidase homolog 0.0226 0.8302 1
Echinococcus granulosus protein jagged 2 0.0058 0.0304 0.0304
Trypanosoma cruzi metacaspase 5, putative 0.0099 0.2262 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0226 0.8302 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0099 0.2262 0.2448
Schistosoma mansoni peroxidasin 0.0226 0.8302 0.8249
Echinococcus granulosus neurogenic locus notch protein 4 0.0058 0.0304 0.0304
Plasmodium vivax hypothetical protein, conserved 0.0099 0.2262 1
Onchocerca volvulus Peroxidasin homolog 0.0226 0.8302 1
Plasmodium falciparum metacaspase-like protein 0.0099 0.2262 0.5
Echinococcus granulosus caspase 8 0.0099 0.2262 0.2262
Trypanosoma cruzi metacaspase, putative 0.0099 0.2262 0.5
Echinococcus granulosus caspase 0.0262 1 1
Echinococcus granulosus peroxidasin 0.0226 0.8302 0.8302
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2262 1
Trypanosoma cruzi metacaspase 5, putative 0.0099 0.2262 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Loa Loa (eye worm) hypothetical protein 0.0191 0.6646 0.7929
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0226 0.8302 1
Brugia malayi Animal haem peroxidase family protein 0.0226 0.8302 1
Echinococcus multilocularis caspase 8 0.0099 0.2262 0.202
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2262 1
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2262 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Echinococcus granulosus notch 0.0058 0.0304 0.0304
Trypanosoma brucei metacaspase 0.0099 0.2262 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Brugia malayi hypothetical protein 0.0092 0.1939 0.2044
Onchocerca volvulus 0.0226 0.8302 1
Echinococcus granulosus caspase 3 0.0163 0.5293 0.5293
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Onchocerca volvulus Cell death protein 3 homolog 0.0191 0.6646 0.7929
Plasmodium falciparum metacaspase 1 0.0099 0.2262 0.5
Brugia malayi Animal haem peroxidase family protein 0.0226 0.8302 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0415 0.0139
Loa Loa (eye worm) animal heme peroxidase 0.0226 0.8302 1
Brugia malayi Blistered cuticle protein 3 0.0226 0.8302 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Onchocerca volvulus 0.0226 0.8302 1
Echinococcus granulosus neurogenic locus protein delta 0.0058 0.0304 0.0304
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Echinococcus granulosus apoptotic protease activating factor 1 0.0092 0.1939 0.1939
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.5636 0.5636
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0099 0.2262 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.5869 0.574
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0099 0.2262 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Brugia malayi Animal haem peroxidase family protein 0.0226 0.8302 1
Onchocerca volvulus 0.0092 0.1939 0.2044
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0415 0.0139
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Echinococcus multilocularis apoptotic protease activating factor 1 0.0092 0.1939 0.1686
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0415 0.0139
Onchocerca volvulus Dual oxidase homolog 0.0226 0.8302 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0099 0.2262 1
Echinococcus granulosus protein jagged 1 0.0058 0.0304 0.0304
Trypanosoma cruzi metacaspase, putative 0.0099 0.2262 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Echinococcus multilocularis caspase 0.0262 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0226 0.8302 1
Leishmania major metacaspase, putative 0.0099 0.2262 0.5
Brugia malayi hypothetical protein 0.0226 0.8302 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2262 1
Brugia malayi Cell death protein 3 precursor 0.0191 0.6646 0.7929
Schistosoma mansoni peroxidasin 0.0226 0.8302 0.8249
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.5869 0.574
Echinococcus granulosus neurogenic locus notch protein 0.0058 0.0304 0.0304
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0262 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.2262 1
Trypanosoma brucei Metacaspase-4 0.0099 0.2262 0.5
Trypanosoma brucei metacaspase MCA3 0.0099 0.2262 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Echinococcus granulosus delta-like protein 1 0.0058 0.0304 0.0304
Schistosoma mansoni caspase-7 (C14 family) 0.0262 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0226 0.8302 1
Echinococcus granulosus protein jagged 1 0.0058 0.0304 0.0304
Brugia malayi Peroxidasin 0.0226 0.8302 1
Echinococcus multilocularis caspase 3 0.0163 0.5293 0.5146
Giardia lamblia High cysteine protein 0.0058 0.0304 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Loa Loa (eye worm) animal heme peroxidase 0.0226 0.8302 1
Onchocerca volvulus Peroxidasin homolog 0.0226 0.8302 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Echinococcus multilocularis peroxidasin 0.0226 0.8302 0.8249
Echinococcus granulosus neural cadherin 0.0058 0.0304 0.0304
Trypanosoma brucei metacaspase 5, putative 0.0099 0.2262 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.8302 1
Echinococcus granulosus slit 2 protein 0.0058 0.0304 0.0304
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0099 0.2262 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 8.1995 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. Nrf2 qHTS screen for inhibitors: Nrf2 A549 ARE-Fluc Confirmation Assay for Hit Validation. (Class of assay: confirmatory) 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
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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