Detailed information for compound 1245097

Basic information

Technical information
  • TDR Targets ID: 1245097
  • Name: N-[(4-tert-butylphenyl)methyl]-N-(furan-2-ylm ethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carbo xamide
  • MW: 428.523 | Formula: C27H28N2O3
  • H donors: 0 H acceptors: 2 LogP: 5.95 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)c1onc(c1)C(=O)N(Cc1ccco1)Cc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C27H28N2O3/c1-19-7-11-21(12-8-19)25-16-24(28-32-25)26(30)29(18-23-6-5-15-31-23)17-20-9-13-22(14-10-20)27(2,3)4/h5-16H,17-18H2,1-4H3
  • InChiKey: NMYZDKKALQLCBE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-tert-butylphenyl)methyl]-N-(2-furylmethyl)-5-(4-methylphenyl)isoxazole-3-carboxamide
  • N-[(4-tert-butylphenyl)methyl]-N-(2-furylmethyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
  • N-(4-tert-butylbenzyl)-N-(2-furylmethyl)-5-(4-methylphenyl)isoxazole-3-carboxamide
  • D337-0505
  • NCGC00118764-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723

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
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.021 0.0606
Loa Loa (eye worm) carboxylesterase 0.0343 0.3456 0.4779
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.017 0.0491
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0005 0.5
Brugia malayi Carboxylesterase family protein 0.0058 0.0367 0.0507
Echinococcus granulosus intermediate filament protein 0.0033 0.0092 0.0265
Loa Loa (eye worm) carboxylesterase 0.0058 0.0367 0.0507
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Brugia malayi MH2 domain containing protein 0.0116 0.0998 0.1381
Treponema pallidum fructose-bisphosphate aldolase 0.0947 1 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0474 0.0655
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0095 0.0275
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0092 0.0127
Echinococcus granulosus acetylcholinesterase 0.0343 0.3456 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0005 0.0046
Brugia malayi intermediate filament protein 0.0033 0.0092 0.0127
Echinococcus granulosus chromobox protein 1 0.0147 0.1334 0.386
Trichomonas vaginalis set domain proteins, putative 0.0787 0.8268 0.8268
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0058 0.0367 0.1062
Echinococcus multilocularis acetylcholinesterase 0.0343 0.3456 1
Echinococcus granulosus acetylcholinesterase 0.0343 0.3456 1
Onchocerca volvulus 0.0033 0.0092 0.0111
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0092 0.0127
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0122 0.1061 1
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0234 0.0678
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.017 0.0491
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0122 0.1061 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0058 0.0367 0.1062
Loa Loa (eye worm) acetylcholinesterase 1 0.0343 0.3456 0.4779
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Trichomonas vaginalis chromobox protein, putative 0.0147 0.1334 0.1334
Brugia malayi Pre-SET motif family protein 0.0692 0.7232 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0065 0.044 0.0608
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0095 0.0275
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.0905 0.2618
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0234 0.0678
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.021
Toxoplasma gondii cathepsin CPC1 0.0122 0.1061 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0372 0.0372
Schistosoma mansoni neuroligin 3 (S09 family) 0.0058 0.0367 0.1062
Echinococcus multilocularis neuroligin 0.0058 0.0367 0.1062
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.0367 0.1062
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0095 0.0894
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0005 0.0046
Schistosoma mansoni intermediate filament proteins 0.0033 0.0092 0.0265
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Brugia malayi Carboxylesterase family protein 0.0343 0.3456 0.4779
Loa Loa (eye worm) hypothetical protein 0.0025 0.0005 0.0007
Loa Loa (eye worm) hypothetical protein 0.0033 0.0095 0.0131
Plasmodium falciparum phd finger protein, putative 0.0033 0.0095 0.0894
Trichomonas vaginalis chromobox protein, putative 0.0089 0.0701 0.0701
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.021
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0998 0.1381
Brugia malayi Muscleblind-like protein 0.03 0.2984 0.4126
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0122 0.1061 0.0975
Brugia malayi chromobox protein homolog 3 0.0083 0.0633 0.0875
Onchocerca volvulus 0.0787 0.8268 1
Onchocerca volvulus 0.0058 0.0367 0.0444
Loa Loa (eye worm) heterochromatin protein 1 0.0147 0.1334 0.1845
Onchocerca volvulus 0.0058 0.0367 0.0444
Loa Loa (eye worm) hypothetical protein 0.0032 0.0085 0.0118
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0947 1 1
Brugia malayi PHD-finger family protein 0.0033 0.0095 0.0131
Onchocerca volvulus 0.0058 0.0367 0.0444
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0463 0.4751 0.5
Echinococcus multilocularis Chromobox protein 3 0.0024 0.00000004502 0.00000013026
Echinococcus granulosus histone lysine methyltransferase setb 0.0099 0.0814 0.2354
Schistosoma mansoni acetylcholinesterase 0.0058 0.0367 0.1062
Brugia malayi Pre-SET motif family protein 0.0099 0.0814 0.1125
Schistosoma mansoni gliotactin 0.0058 0.0367 0.1062
Echinococcus granulosus muscleblind protein 0.03 0.2984 0.8634
Schistosoma mansoni lamin 0.0033 0.0092 0.0265
Loa Loa (eye worm) hypothetical protein 0.0056 0.0349 0.0483
Onchocerca volvulus 0.0024 0.00000004502 0.000000054453
Trichomonas vaginalis chromobox protein, putative 0.0147 0.1334 0.1334
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0814 0.2354
Trichomonas vaginalis spcc417.12 protein, putative 0.0058 0.0367 0.0367
Trichomonas vaginalis chromobox protein, putative 0.0089 0.0701 0.0701
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0083 0.0633 0.0766
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.0367 0.1062
Entamoeba histolytica hypothetical protein 0.0043 0.021 0.021
Echinococcus multilocularis lamin dm0 0.0033 0.0092 0.0265
Schistosoma mansoni hypothetical protein 0.0033 0.0095 0.0275
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0005 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0463 0.4751 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0089 0.0701 0.0848
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0998 0.1381
Echinococcus granulosus carboxylesterase 5A 0.0343 0.3456 1
Brugia malayi Carboxylesterase family protein 0.0058 0.0367 0.0507
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.0905 0.2618
Loa Loa (eye worm) hypothetical protein 0.0343 0.3456 0.4779
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0095 0.0894
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0814 0.2354
Echinococcus granulosus neuroligin 0.0058 0.0367 0.1062
Echinococcus multilocularis acetylcholinesterase 0.0343 0.3456 1
Schistosoma mansoni chromobox protein 0.0147 0.1334 0.386
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Brugia malayi hypothetical protein 0.0043 0.021 0.029
Toxoplasma gondii preprocathepsin c precursor, putative 0.0122 0.1061 1
Onchocerca volvulus 0.0033 0.0092 0.0111
Echinococcus multilocularis muscleblind protein 1 0.03 0.2984 0.8634
Echinococcus granulosus peregrin 0.0033 0.0095 0.0275
Echinococcus granulosus para nitrobenzyl esterase 0.0058 0.0367 0.1062
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0463 0.4751 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0343 0.3456 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Schistosoma mansoni jumonji domain containing protein 0.0086 0.0665 0.1925
Brugia malayi SET domain containing protein 0.0028 0.004 0.0055
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0122 0.1061 0.3069
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0633 0.0633
Brugia malayi jmjC domain containing protein 0.004 0.017 0.0235
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0092 0.0127
Echinococcus multilocularis chromobox protein 1 0.0147 0.1334 0.386
Schistosoma mansoni chromobox protein 0.0147 0.1334 0.386
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0095 0.0894
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0058 0.0367 0.1062
Brugia malayi hypothetical protein 0.0025 0.0005 0.0007
Brugia malayi hypothetical protein 0.0058 0.0367 0.0507
Echinococcus granulosus chromobox protein 1 0.0147 0.1334 0.386
Onchocerca volvulus 0.0058 0.0367 0.0444
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.017 0.0491
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.0367 0.1062
Trichomonas vaginalis conserved hypothetical protein 0.0058 0.0372 0.0372
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.021 0.0606
Onchocerca volvulus 0.0065 0.044 0.0532
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0095 0.0275
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.017 0.0491
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0692 0.7232 1
Echinococcus multilocularis musashi 0.0033 0.0092 0.0265
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0122 0.1061 1
Echinococcus granulosus BC026374 protein S09 family 0.0058 0.0367 0.1062
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.017 0.0235
Leishmania major hypothetical protein, conserved 0.0025 0.0005 0.5
Loa Loa (eye worm) hypothetical protein 0.0343 0.3456 0.4779
Brugia malayi Carboxylesterase family protein 0.0058 0.0367 0.0507
Brugia malayi jmjC domain containing protein 0.0108 0.0905 0.1251
Loa Loa (eye worm) hypothetical protein 0.0058 0.0367 0.0507
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0122 0.1061 0.1061
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0005 0.0046
Schistosoma mansoni hypothetical protein 0.0043 0.021 0.0606
Echinococcus multilocularis chromobox protein 1 0.0147 0.1334 0.386
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0123 0.1075 0.311
Onchocerca volvulus 0.0058 0.0367 0.0444
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.0633 0.0633
Loa Loa (eye worm) hypothetical protein 0.0083 0.0633 0.0875
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0099 0.0814 0.767
Loa Loa (eye worm) hypothetical protein 0.0033 0.0092 0.0127
Loa Loa (eye worm) carboxylesterase 0.0058 0.0367 0.0507
Schistosoma mansoni BC026374 protein (S09 family) 0.0058 0.0367 0.1062
Brugia malayi Carboxylesterase family protein 0.0343 0.3456 0.4779
Brugia malayi Carboxylesterase family protein 0.0058 0.0367 0.0507
Onchocerca volvulus 0.0123 0.1075 0.13
Brugia malayi Heterochromatin protein 1 0.0147 0.1334 0.1845
Echinococcus granulosus lamin dm0 0.0033 0.0092 0.0265
Loa Loa (eye worm) hypothetical protein 0.0099 0.0814 0.1125
Echinococcus multilocularis lamin 0.0033 0.0092 0.0265
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Loa Loa (eye worm) hypothetical protein 0.03 0.2984 0.4126
Echinococcus granulosus lamin 0.0033 0.0092 0.0265
Echinococcus multilocularis para nitrobenzyl esterase 0.0058 0.0367 0.1062
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.021 0.0606
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0122 0.1061 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0099 0.0814 0.2354
Echinococcus multilocularis peregrin 0.0033 0.0095 0.0275
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0005 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0099 0.0814 0.2354
Loa Loa (eye worm) hypothetical protein 0.03 0.2984 0.4126
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0058 0.0367 0.0367
Echinococcus multilocularis carboxylesterase 5A 0.0343 0.3456 1
Brugia malayi Bromodomain containing protein 0.0033 0.0095 0.0131
Echinococcus multilocularis muscleblind protein 0.03 0.2984 0.8634
Plasmodium vivax SET domain protein, putative 0.0099 0.0814 0.767
Schistosoma mansoni lamin 0.0033 0.0092 0.0265
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0096 0.0774 0.224
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0099 0.0814 0.2354
Giardia lamblia Fructose-bisphosphate aldolase 0.0947 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0095 0.0131
Onchocerca volvulus Alhambra homolog 0.0033 0.0095 0.0115
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0947 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0005 0.0046
Echinococcus granulosus Chromobox protein 3 0.0024 0.00000004502 0.00000013026

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 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) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 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

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

No literature references available for this target.

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