Detailed information for compound 1351395

Basic information

Technical information
  • TDR Targets ID: 1351395
  • Name: 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-m orpholin-4-ylethyl)acetamide
  • MW: 333.382 | Formula: C17H23N3O4
  • H donors: 1 H acceptors: 2 LogP: 0.47 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)C(C)Oc2c1cccc2)NCCN1CCOCC1
  • InChi: 1S/C17H23N3O4/c1-13-17(22)20(14-4-2-3-5-15(14)24-13)12-16(21)18-6-7-19-8-10-23-11-9-19/h2-5,13H,6-12H2,1H3,(H,18,21)
  • InChiKey: PZWSBRFQZNKOCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholinoethyl)acetamide
  • 2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)-N-(2-morpholinoethyl)acetamide
  • 2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-morpholin-4-ylethyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 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_129545 All targets in OG5_129545
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0948 0.3473
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0241 0.7757 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0241 0.7757 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0217 0.6892 0.8837
Echinococcus multilocularis muscleblind protein 1 0.0167 0.5103 0.8566
Schistosoma mansoni chromobox protein 0.0084 0.2141 0.1887
Echinococcus multilocularis chromobox protein 1 0.0084 0.2141 0.3269
Loa Loa (eye worm) hypothetical protein 0.0047 0.082 0.0783
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.082 0.2772
Brugia malayi Heterochromatin protein 1 0.0084 0.2141 0.4195
Echinococcus multilocularis chromobox protein 1 0.0084 0.2141 0.3269
Echinococcus granulosus muscleblind protein 0.0167 0.5103 0.8566
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0217 0.6892 0.8837
Brugia malayi glutathione reductase 0.0095 0.2535 0.4968
Trypanosoma cruzi trypanothione reductase, putative 0.0095 0.2535 1
Plasmodium vivax thioredoxin reductase, putative 0.0095 0.2535 1
Echinococcus multilocularis muscleblind protein 0.0167 0.5103 0.8566
Echinococcus granulosus chromobox protein 1 0.0084 0.2141 0.3269
Schistosoma mansoni hypothetical protein 0.0189 0.5905 0.5773
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0962 0.1161
Brugia malayi Muscleblind-like protein 0.0167 0.5103 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0948 0.3473
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0313 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 0.2555 0.401
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0095 0.2535 0.2985
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0217 0.6892 0.8837
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2141 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 0.2555 0.401
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0962 0.1161
Leishmania major trypanothione reductase 0.0095 0.2535 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0241 0.7757 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0313 0.5
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.082 0.7399
Brugia malayi Thioredoxin reductase 0.0095 0.2535 0.4968
Loa Loa (eye worm) thioredoxin reductase 0.0095 0.2535 0.4475
Toxoplasma gondii thioredoxin reductase 0.0095 0.2535 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0328 0.0081
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0328 0.0081
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2141 0.3626
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0217 0.6892 0.8837
Loa Loa (eye worm) hypothetical protein 0.0167 0.5103 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0241 0.7757 1
Brugia malayi chromobox protein homolog 3 0.0047 0.082 0.1606
Loa Loa (eye worm) hypothetical protein 0.0167 0.5103 1
Echinococcus granulosus chromobox protein 1 0.0084 0.2141 0.3269
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0313 0.5
Treponema pallidum NADH oxidase 0.0033 0.0313 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0962 0.1885
Mycobacterium tuberculosis Probable dehydrogenase 0.0217 0.6892 0.8837
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0948 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0313 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0962 0.067
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0313 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0313 0.5
Schistosoma mansoni hypothetical protein 0.0189 0.5905 0.5773
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2141 1
Plasmodium vivax glutathione reductase, putative 0.0095 0.2535 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0313 0.0613
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0962 0.1161
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0962 0.1161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0962 0.067
Loa Loa (eye worm) glutathione reductase 0.0095 0.2535 0.4475
Echinococcus multilocularis geminin 0.0189 0.5905 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0313 0.5
Plasmodium falciparum thioredoxin reductase 0.0095 0.2535 1
Mycobacterium tuberculosis Probable reductase 0.0217 0.6892 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0962 0.067
Schistosoma mansoni chromobox protein 0.0084 0.2141 0.1887
Echinococcus granulosus geminin 0.0189 0.5905 1
Plasmodium falciparum glutathione reductase 0.0095 0.2535 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.082 0.2772
Trypanosoma brucei trypanothione reductase 0.0095 0.2535 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0962 0.109

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) = 25.0177 um PUBCHEM_BIOASSAY: Concentration response confirmation assay for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) [Related pubchem assays: 2551 (Primary screen tested at 6 concentrations from 46 uM to 3 nM)] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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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