Detailed information for compound 829812

Basic information

Technical information
  • TDR Targets ID: 829812
  • Name: ethyl 3-[3-[(4-fluorophenyl)methyl]-6,10-dime thyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benzo xazin-7-yl]propanoate
  • MW: 439.476 | Formula: C25H26FNO5
  • H donors: 0 H acceptors: 2 LogP: 3.92 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2C)OCN(C1)Cc1ccc(cc1)F
  • InChi: 1S/C25H26FNO5/c1-4-30-22(28)10-9-20-15(2)21-11-18-13-27(12-17-5-7-19(26)8-6-17)14-31-23(18)16(3)24(21)32-25(20)29/h5-8,11H,4,9-10,12-14H2,1-3H3
  • InChiKey: UJPAAHSWJDZIJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[3-[(4-fluorophenyl)methyl]-6,10-dimethyl-8-oxo-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]propanoic acid ethyl ester
  • 3-[3-(4-fluorobenzyl)-8-keto-6,10-dimethyl-2,4-dihydropyrano[5,6-g][1,3]benzoxazin-7-yl]propionic acid ethyl ester
  • ST5327715

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
Echinococcus multilocularis transcription factor collier 0.0021 0.0427 0.0567
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0156 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.2304 0.2304
Loa Loa (eye worm) TK/ROR protein kinase 0.0031 0.1133 0.1133
Loa Loa (eye worm) hypothetical protein 0.0021 0.0427 0.0427
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Toxoplasma gondii kringle domain-containing protein 0.0022 0.0515 0.5
Echinococcus multilocularis exocyst complex component 2 0.0021 0.0427 0.0567
Brugia malayi Kringle domain containing protein 0.0022 0.0515 0.0091
Brugia malayi plexin A 0.0121 0.7534 0.7424
Trypanosoma cruzi hypothetical protein, conserved 0.0022 0.0515 0.5
Onchocerca volvulus 0.0047 0.2304 0.2037
Brugia malayi Sema domain containing protein 0.0047 0.2304 0.196
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.0515 0.0515
Echinococcus granulosus semaphorin 1A 0.0047 0.2304 0.3057
Loa Loa (eye worm) hypothetical protein 0.0047 0.2304 0.2304
Schistosoma mansoni hypothetical protein 0.0047 0.2304 0.3324
Brugia malayi hypothetical protein 0.0047 0.2304 0.196
Loa Loa (eye worm) hypothetical protein 0.0047 0.2304 0.2304
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.2732 0.2732
Loa Loa (eye worm) hypothetical protein 0.01 0.6071 0.6071
Loa Loa (eye worm) hypothetical protein 0.0047 0.2304 0.2304
Echinococcus granulosus semaphorin 5B 0.0047 0.2304 0.3057
Onchocerca volvulus 0.01 0.6071 0.6326
Loa Loa (eye worm) hypothetical protein 0.0021 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.0047 0.2304 0.2304
Schistosoma mansoni hypothetical protein 0.0047 0.2304 0.3324
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0427 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0022 0.0515 0.5
Echinococcus multilocularis semaphorin 5B 0.0047 0.2304 0.3057
Schistosoma mansoni hypothetical protein 0.0022 0.0515 0.0155
Echinococcus granulosus exocyst complex component 2 0.0021 0.0427 0.0567
Echinococcus granulosus tissue type plasminogen activator 0.0022 0.0515 0.0683
Leishmania major hypothetical protein, conserved 0.0022 0.0515 0.5
Brugia malayi Protein kinase domain containing protein 0.0028 0.0965 0.0562
Echinococcus granulosus plexin a4 0.0121 0.7534 1
Echinococcus multilocularis plexin a4 0.0121 0.7534 1
Loa Loa (eye worm) sema domain-containing protein 0.0047 0.2304 0.2304
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0427 0.5
Schistosoma mansoni semaphorin 5-related 0.0047 0.2304 0.3324
Brugia malayi Plexin repeat family protein 0.01 0.6071 0.5896
Schistosoma mansoni plexin 0.0053 0.2732 0.4083
Brugia malayi Sema domain containing protein 0.0047 0.2304 0.196
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0427 0.5
Echinococcus multilocularis hypothetical protein 0.0047 0.2304 0.3057
Onchocerca volvulus Tyrosine kinase homolog 0.0146 0.9299 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0427 0.0427
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0427 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0022 0.0515 0.0683
Entamoeba histolytica tyrosin kinase, putative 0.0027 0.0878 1
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Brugia malayi hypothetical protein 0.0047 0.2304 0.196
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0021 0.0427 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0027 0.0878 1
Loa Loa (eye worm) sema domain-containing protein 0.0047 0.2304 0.2304
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0427 0.5
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0022 0.0515 0.5
Schistosoma mansoni hypothetical protein 0.0053 0.2732 0.4083
Schistosoma mansoni plexin 0.01 0.6071 1
Echinococcus granulosus transcription factor collier 0.0021 0.0427 0.0567
Loa Loa (eye worm) plexin A 0.0121 0.7534 0.7534
Onchocerca volvulus 0.0137 0.8681 0.9296
Loa Loa (eye worm) hypothetical protein 0.0047 0.2304 0.2304
Loa Loa (eye worm) hypothetical protein 0.0021 0.0427 0.0427

Activities

No activities found for this compound.

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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