Detailed information for compound 1377279

Basic information

Technical information
  • TDR Targets ID: 1377279
  • Name: N-(3-fluorophenyl)-4-(3-oxo-2-phenylpyrido[3, 2-b][1,4]oxazin-4-yl)butanamide
  • MW: 405.422 | Formula: C23H20FN3O3
  • H donors: 1 H acceptors: 3 LogP: 3.28 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)F)CCCN1C(=O)C(Oc2c1nccc2)c1ccccc1
  • InChi: 1S/C23H20FN3O3/c24-17-9-4-10-18(15-17)26-20(28)12-6-14-27-22-19(11-5-13-25-22)30-21(23(27)29)16-7-2-1-3-8-16/h1-5,7-11,13,15,21H,6,12,14H2,(H,26,28)
  • InChiKey: PNPZEDWKMOIRIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-fluorophenyl)-4-(3-oxo-2-phenyl-pyrido[3,2-b][1,4]oxazin-4-yl)butanamide
  • N-(3-fluorophenyl)-4-(3-oxo-2-phenyl-4-pyrido[3,2-b][1,4]oxazinyl)butanamide
  • N-(3-fluorophenyl)-4-(3-keto-2-phenyl-pyrido[3,2-b][1,4]oxazin-4-yl)butyramide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Brugia malayi TAR-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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus 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
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni tar DNA-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
Echinococcus multilocularis Niemann Pick C1 protein 0.017 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2745 0.4441
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.6038 0.5709
Echinococcus granulosus expressed conserved protein 0.0112 0.5478 0.5102
Schistosoma mansoni hypothetical protein 0.0049 0.0624 0.1009
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2745 0.4441
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2745 0.2143
Brugia malayi RNA binding protein 0.0076 0.2745 0.4546
Schistosoma mansoni hypothetical protein 0.0049 0.0624 0.1009
Loa Loa (eye worm) hypothetical protein 0.0051 0.0766 0.1269
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2745 0.4546
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0766 0.5
Brugia malayi TAR-binding protein 0.0076 0.2745 0.4546
Schistosoma mansoni hypothetical protein 0.0049 0.0624 0.1009
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.6038 0.5709
Brugia malayi CHE-14 protein 0.0051 0.0766 0.1269
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1479 0.245
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2745 0.4441
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1479 0.245
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2745 0.4546
Schistosoma mansoni patched 1 0.0051 0.0766 0.124
Echinococcus multilocularis expressed conserved protein 0.0112 0.5478 0.5102
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0766 0.1269
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2745 0.4441
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.618 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2745 0.2143
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.6038 0.5
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.6038 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.2745 0.4546
Schistosoma mansoni hypothetical protein 0.0049 0.0624 0.1009
Loa Loa (eye worm) hypothetical protein 0.0062 0.1658 0.2746
Loa Loa (eye worm) hypothetical protein 0.006 0.1479 0.245
Loa Loa (eye worm) hypothetical protein 0.0119 0.6038 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2745 0.4441
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1479 0.245
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2745 0.4546
Echinococcus multilocularis protein dispatched 1 0.0058 0.1326 0.0606

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 10.4179 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] 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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