Detailed information for compound 1024528

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.226 | Formula: C13H13N2O5P
  • H donors: 2 H acceptors: 4 LogP: 0.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2ccnc3c2c(c1OP(=O)(O)O)n(C)cc3
  • InChi: 1S/C13H13N2O5P/c1-15-6-4-9-11-8(3-5-14-9)7-10(19-2)13(12(11)15)20-21(16,17)18/h3-7H,1-2H3,(H2,16,17,18)
  • InChiKey: LQLHTSTVFWAXBX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) cytochrome P450 family protein 0.0047 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.0075 0.1084 0.1084
Echinococcus granulosus jun protein 0.0081 0.1231 0.1231
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0456 1 1
Schistosoma mansoni hypothetical protein 0.0168 0.3248 0.3248
Schistosoma mansoni jumonji domain containing protein 0.0075 0.1081 0.1081
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0114 0.2002 0.2002
Plasmodium vivax hypothetical protein, conserved 0.0029 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.1231 0.1231
Brugia malayi jmjC domain containing protein 0.0095 0.1535 0.3627
Brugia malayi jmjC domain containing protein 0.0035 0.0142 0.0335
Schistosoma mansoni hypothetical protein 0.0168 0.3248 0.3248
Brugia malayi bZIP transcription factor family protein 0.0081 0.1231 0.2908
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1535 0.1535
Loa Loa (eye worm) hypothetical protein 0.0079 0.1179 0.1179
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0142 0.0142
Onchocerca volvulus 0.0064 0.0822 0.6766
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0719 0.0719
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0047 0.0432 0.1021
Echinococcus granulosus geminin 0.0168 0.3248 0.3248
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0 0.5
Schistosoma mansoni hypothetical protein 0.0066 0.0874 0.0874
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0081 0.1214 0.1214
Schistosoma mansoni lipoxygenase 0.008 0.1196 0.1196
Onchocerca volvulus 0.0081 0.1214 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0456 1 1
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0456 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1535 0.1535
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.2002 0.2002
Onchocerca volvulus 0.0081 0.1214 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0142 0.0142
Brugia malayi hypothetical protein 0.0064 0.0822 0.1941
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0142 0.0142
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.1231 0.1231
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0142 0.0142
Schistosoma mansoni lipoxygenase 0.0114 0.2002 0.2002
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0264 0.0264
Plasmodium falciparum phd finger protein, putative 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.1214 0.1214
Giardia lamblia PHD finger protein 15 0.0029 0 0.5
Schistosoma mansoni jun-related protein 0.0066 0.0874 0.0874
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0142 0.0142
Echinococcus multilocularis jun protein 0.0081 0.1231 0.1231
Brugia malayi Cation transporter family protein 0.0081 0.1214 0.2869
Onchocerca volvulus 0.0081 0.1214 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0482 0.0482
Loa Loa (eye worm) hypothetical protein 0.0081 0.1214 0.1214
Brugia malayi hypothetical protein 0.021 0.4233 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0264 0.0264
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0081 0.1214 0.1214
Echinococcus multilocularis geminin 0.0168 0.3248 0.3248

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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