Detailed information for compound 1434966

Basic information

Technical information
  • TDR Targets ID: 1434966
  • Name: 4-[(4-methoxyphenyl)methyl]-1,4-benzoxazin-3- one
  • MW: 269.295 | Formula: C16H15NO3
  • H donors: 0 H acceptors: 1 LogP: 2.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CN1C(=O)COc2c1cccc2
  • InChi: 1S/C16H15NO3/c1-19-13-8-6-12(7-9-13)10-17-14-4-2-3-5-15(14)20-11-16(17)18/h2-9H,10-11H2,1H3
  • InChiKey: AZJUOKLTAXZCKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-methoxybenzyl)-1,4-benzoxazin-3-one
  • 4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
  • ASN 07153617
  • ZINC01328554

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 bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis 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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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) 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) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) 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
Echinococcus granulosus bromodomain adjacent to zinc finger domain 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
Brugia malayi RNA recognition motif domain containing 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus 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
Brugia malayi RNA binding 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
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0066 0.0066
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1201 0.1493
Echinococcus granulosus tar DNA binding protein 0.0076 0.8045 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3719 0.4623
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3719 0.4623
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3447 0.4285
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0281 0.0349
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0881 0.0949
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0066 0.0082
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0066 0.0082
Schistosoma mansoni hypothetical protein 0.0041 0.3136 0.3898
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0891 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.4574 0.4927
Loa Loa (eye worm) hypothetical protein 0.0085 0.9283 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8045 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0891 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0281 0.0302
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0066 0.0082
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0281 0.0349
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0082
Echinococcus granulosus zinc finger protein 0.0024 0.0704 0.0875
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0082
Loa Loa (eye worm) hypothetical protein 0.0025 0.0891 0.096
Loa Loa (eye worm) TAR-binding protein 0.0076 0.8045 0.8667
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0082
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.5782 0.5782
Echinococcus granulosus GPCR family 2 0.0019 0.0066 0.0082
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.3719 0.3719
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0281 0.0349
Loa Loa (eye worm) hypothetical protein 0.0046 0.3856 0.4154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5782 0.5782
Echinococcus multilocularis zinc finger protein 0.0024 0.0704 0.0875
Echinococcus multilocularis tar DNA binding protein 0.0076 0.8045 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0066 0.0066
Brugia malayi PHD-finger family protein 0.003 0.1599 0.1599
Schistosoma mansoni bromodomain containing protein 0.0076 0.8034 0.9986
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0383 0.0413
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0281 0.0349
Brugia malayi hypothetical protein 0.0025 0.0891 0.0891
Brugia malayi Bromodomain containing protein 0.0046 0.3844 0.3844
Loa Loa (eye worm) hypothetical protein 0.0049 0.4253 0.4582
Brugia malayi TAR-binding protein 0.0076 0.8045 0.8045
Loa Loa (eye worm) hypothetical protein 0.006 0.5782 0.6229
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.8045 0.8667
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0891 1
Echinococcus multilocularis GPCR, family 2 0.0019 0.0066 0.0082
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7434 0.924
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0891 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1201 0.1493
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8045 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0891 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3719 0.4623
Loa Loa (eye worm) RNA binding protein 0.0076 0.8045 0.8667
Loa Loa (eye worm) hypothetical protein 0.0019 0.0066 0.0071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0281 0.0349
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1201 0.1493
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0281 0.0349
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0281 0.0349
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.3719 0.4623
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0066 0.0082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3719 0.4623
Schistosoma mansoni zinc finger protein 0.0024 0.0704 0.0875
Brugia malayi RNA binding protein 0.0076 0.8045 0.8045
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0066 0.0071
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5782 0.6229
Leishmania major hypothetical protein, conserved 0.0025 0.0891 1
Schistosoma mansoni hypothetical protein 0.0025 0.0881 0.1095
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0891 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7434 0.924
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8045 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.3136 0.3379
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.3719 0.4623
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0281 0.0349
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3136 0.3136
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8045 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.3719 0.4623
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.3719 0.4007
Schistosoma mansoni hypothetical protein 0.0019 0.0066 0.0082
Schistosoma mansoni tar DNA-binding protein 0.0076 0.8045 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.8045 0.8045
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3447 0.4285
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0891 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0294 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) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 39.8107 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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