Detailed information for compound 1128211

Basic information

Technical information
  • TDR Targets ID: 1128211
  • Name: 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)thi eno[2,3-d][1,3]oxazin-4-one
  • MW: 383.393 | Formula: C20H14FNO4S
  • H donors: 0 H acceptors: 1 LogP: 4.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)c1csc2c1c(=O)oc(n2)c1ccc(cc1)F
  • InChi: 1S/C20H14FNO4S/c1-24-15-8-5-12(9-16(15)25-2)14-10-27-19-17(14)20(23)26-18(22-19)11-3-6-13(21)7-4-11/h3-10H,1-2H3
  • InChiKey: FVKJDDKQHSEXNF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-4-thieno[2,3-d][1,3]oxazinone
  • NCGC00101205-01
  • 5-(3,4-Dimethoxy-phenyl)-2-(4-fluoro-phenyl)-thieno[2,3-d][1,3]oxazin-4-one
  • BAS 06105323
  • ZINC00798306
  • STOCK3S-83092

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni alkaline phosphatase 0.0493 0.6077 0.6205
Trichomonas vaginalis DNA polymerase eta, putative 0.0061 0.0622 0.16
Echinococcus granulosus bloom syndrome protein 0.0048 0.0464 0.0474
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Giardia lamblia DINP protein human, muc B family 0.0061 0.0622 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0451 0.0451
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0106 0.0446
Loa Loa (eye worm) hypothetical protein 0.0034 0.0284 0.0732
Loa Loa (eye worm) hypothetical protein 0.0038 0.0333 0.0904
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.226 0.226
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0119 0.0197
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0237 0.2852 0.9754
Schistosoma mansoni microtubule-associated protein tau 0.0787 0.9794 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0284 0.029
Trichomonas vaginalis set domain proteins, putative 0.027 0.3266 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0493 0.6077 0.6205
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0284 0.0284
Schistosoma mansoni terminal deoxycytidyl transferase 0.0061 0.0622 0.0635
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0284 0.2963
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0061 0.0622 1
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0493 0.6077 0.6077
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0119 0.0221
Brugia malayi ImpB/MucB/SamB family protein 0.0061 0.0622 0.2003
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0119 0.0119
Echinococcus granulosus intestinal type alkaline phosphatase 0.0493 0.6077 0.6205
Schistosoma mansoni ap endonuclease 0.0021 0.0119 0.0121
Echinococcus multilocularis bloom syndrome protein 0.0048 0.0464 0.0464
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0179 0.0733
Brugia malayi Pre-SET motif family protein 0.0237 0.2852 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0534 0.1608
Onchocerca volvulus 0.027 0.3266 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.018 0.0742
Mycobacterium ulcerans DNA polymerase IV 0.0061 0.0622 1
Trypanosoma brucei unspecified product 0.0042 0.0384 0.2476
Loa Loa (eye worm) MBCTL1 0.0054 0.0534 0.1608
Schistosoma mansoni DNA polymerase IV / kappa 0.0019 0.0093 0.0095
Brugia malayi hypothetical protein 0.0026 0.0179 0.0413
Entamoeba histolytica deoxycytidyl transferase, putative 0.0061 0.0622 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0179 0.45
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0534 0.0534
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0106 0.0106
Brugia malayi polk-prov protein 0.0019 0.0093 0.0103
Echinococcus multilocularis microtubule associated protein 2 0.0787 0.9794 0.9794
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0076 0.0044
Brugia malayi Pre-SET motif family protein 0.0034 0.0284 0.0791
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.018 0.0195
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.1318
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Schistosoma mansoni hypothetical protein 0.0552 0.6826 0.697
Toxoplasma gondii ImpB/MucB/SamB family protein 0.007 0.0739 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0119 0.0876
Loa Loa (eye worm) hypothetical protein 0.0243 0.2922 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.018 0.0742
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0451 0.0461
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0179 0.0733
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0061 0.0622 0.16
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0106 0.0106
Brugia malayi ImpB/MucB/SamB family protein 0.0112 0.1269 0.4322
Echinococcus granulosus alkaline phosphatase 0.0493 0.6077 0.6205
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0106 0.0205
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0384 0.2476
Loa Loa (eye worm) RecQ helicase 0.0048 0.0464 0.1362
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0333 0.0967
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0119 0.015
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0033 0.0267 0.9067
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0119 0.0221
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0119 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Echinococcus multilocularis geminin 0.0552 0.6826 0.6826
Leishmania major DNA polymerase eta, putative 0.0112 0.1269 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.226 0.2307
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0061 0.0622 0.1919
Loa Loa (eye worm) hypothetical protein 0.002 0.0106 0.0105
Schistosoma mansoni DNA polymerase eta 0.0112 0.1269 0.1296
Echinococcus granulosus geminin 0.0552 0.6826 0.697
Echinococcus granulosus dna polymerase kappa 0.0061 0.0622 0.0635
Schistosoma mansoni alkaline phosphatase 0.0493 0.6077 0.6205
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0061 0.0622 0.4502
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0106 0.0151
Brugia malayi mbt repeat family protein 0.0047 0.0451 0.1389
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0078
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0106 0.0205
Loa Loa (eye worm) hypothetical protein 0.0019 0.0093 0.0058
Schistosoma mansoni hypothetical protein 0.0291 0.3536 0.361
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0078
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.0622 0.4502
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0451 0.0461
Echinococcus multilocularis alkaline phosphatase 0.0493 0.6077 0.6077
Schistosoma mansoni DNA helicase recq1 0.002 0.0106 0.0108
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0534 0.0534
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0451 0.0461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0119 0.0221
Echinococcus multilocularis dna polymerase eta 0.0112 0.1269 0.1269
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0106 0.025
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0284 0.0284
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0119 0.0221
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0179 0.2902
Brugia malayi mbt repeat family protein 0.0047 0.0451 0.1389
Leishmania major DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Trypanosoma brucei unspecified product 0.0061 0.0622 0.4502
Echinococcus granulosus GPCR family 2 0.0018 0.0076 0.0078
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0493 0.6077 0.6077
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0119 0.0491
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0076 0.0078
Schistosoma mansoni ap endonuclease 0.0021 0.0119 0.0121
Mycobacterium ulcerans DNA polymerase IV 0.0061 0.0622 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0061 0.0622 0.0635
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0076 0.0076
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0284 0.029
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0119 0.1358
Leishmania major DNA polymerase eta, putative 0.007 0.0739 0.5498
Trichomonas vaginalis DNA helicase recq, putative 0.0048 0.0464 0.1096
Brugia malayi Bloom's syndrome protein homolog 0.0048 0.0464 0.1434
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0284 0.029
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0179 0.1333
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0106 0.0151
Schistosoma mansoni hypothetical protein 0.0256 0.3088 0.3153
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0451 0.0559
Loa Loa (eye worm) hypothetical protein 0.0026 0.0179 0.0361
Trypanosoma cruzi DNA polymerase eta, putative 0.0112 0.1269 1
Onchocerca volvulus 0.0047 0.0451 0.0559
Entamoeba histolytica recQ family helicase, putative 0.0026 0.018 0.1216
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0555 0.1762
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0493 0.6077 0.6077
Mycobacterium tuberculosis Conserved hypothetical protein 0.0061 0.0622 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0555 0.1683
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.0622 0.4502
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0451 0.0461
Trypanosoma brucei unspecified product 0.0042 0.0384 0.2476
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0284 0.029
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0262 0.2611
Trypanosoma brucei DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0534 0.1685
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0451 0.1318
Trypanosoma cruzi DNA polymerase kappa, putative 0.0061 0.0622 0.4502
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0269 0.0274
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0119 0.5
Echinococcus granulosus dna polymerase eta 0.0112 0.1269 0.1296
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.039 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0106 0.0108
Onchocerca volvulus 0.0172 0.2031 0.5857
Echinococcus multilocularis dna polymerase kappa 0.0061 0.0622 0.0622
Leishmania major hypothetical protein, conserved 0.0026 0.0179 0.0733
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.0622 0.4502
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0106 0.0108
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0534 0.0545
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0534 0.0545
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0384 0.2476
Toxoplasma gondii exonuclease III APE 0.0021 0.0119 0.0402
Schistosoma mansoni hypothetical protein 0.0038 0.0333 0.034
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 0.0384 0.2476
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0451 0.0461
Trypanosoma brucei DNA polymerase eta, putative 0.0112 0.1269 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.018 0.0742
Brugia malayi hypothetical protein 0.0172 0.2031 0.7055
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0061 0.0622 0.0622
Echinococcus granulosus microtubule associated protein 2 0.0787 0.9794 1
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0493 0.6077 0.6205
Trypanosoma cruzi DNA polymerase eta, putative 0.007 0.0739 0.5498
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0106 0.0105
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0119 0.0121
Schistosoma mansoni blooms syndrome DNA helicase 0.0038 0.0336 0.0343
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0451 0.0451
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0284 0.029
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0061 0.0622 0.0635
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0076 0.0076
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0555 0.1762
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0179 0.0733
Loa Loa (eye worm) hypothetical protein 0.0112 0.1269 0.4191
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0534 0.0545
Plasmodium vivax SET domain protein, putative 0.0034 0.0284 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0179 0.2902
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0076 0.0078
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0076 0.0044
Schistosoma mansoni DNA helicase recq5 0.002 0.0106 0.0108
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0119 0.0491
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0078
Schistosoma mansoni hypothetical protein 0.0018 0.0076 0.0078
Loa Loa (eye worm) hypothetical protein 0.0055 0.0555 0.1683
Echinococcus multilocularis GPCR, family 2 0.0018 0.0076 0.0076
Loa Loa (eye worm) hypothetical protein 0.0172 0.2031 0.6868
Trichomonas vaginalis DNA helicase recq1, putative 0.0048 0.0464 0.1096
Schistosoma mansoni hypothetical protein 0.0552 0.6826 0.697

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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