Detailed information for compound 2259778

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.19 | Formula: C23H25N3O3
  • H donors: 1 H acceptors: 2 LogP: 3.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 0
  • SMILES: O=c1[nH]c(=O)n(cc1C)[C@@H]1CCCN(C1)Cc1cccc(c1)Oc1ccccc1
  • InChi: InChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-8-6-12-25(16-19)15-18-7-5-11-21(13-18)29-20-9-3-2-4-10-20/h2-5,7,9-11,13-14,19H,6,8,12,15-16H2,1H3,(H,24,27,28)/t19-/m1/s1
  • InChiKey: UVSXXFBEAJISCP-LJQANCHMSA-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
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0554 0.8948 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0087 0.0515
Schistosoma mansoni rab6-interacting 0.0103 0.1344 0.1344
Echinococcus multilocularis lipoxygenase domain containing protein 0.0103 0.1344 0.1312
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0616 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0955 0.1068
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0066 0.0713 0.5
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0066 0.0713 0.0679
Loa Loa (eye worm) hypothetical protein 0.0103 0.1344 0.1502
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0499 0.8021 0.8021
Brugia malayi hypothetical protein 0.0103 0.1344 0.1484
Schistosoma mansoni rab6-interacting 0.0103 0.1344 0.1344
Schistosoma mansoni protein kinase 0.0066 0.0713 0.0713
Loa Loa (eye worm) TTK protein kinase 0.0554 0.8948 1
Onchocerca volvulus 0.0103 0.1344 0.1484
Echinococcus multilocularis Polycystic kidney disease protein 0.0103 0.1344 0.1312
Loa Loa (eye worm) AUR protein kinase 0.0066 0.0713 0.0796
Toxoplasma gondii MAPEG family protein 0.0114 0.1535 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0087 0.0097
Echinococcus granulosus RUN 0.0103 0.1344 0.1312
Leishmania major protein kinase, putative 0.0066 0.0713 1
Echinococcus granulosus Polycystic kidney disease protein 0.0103 0.1344 0.1312
Echinococcus granulosus microsomal glutathione S transferase 3 0.0114 0.1535 0.1504
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0087 0.0515
Entamoeba histolytica protein kinase , putative 0.0066 0.0713 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.0292 0.0256
Entamoeba histolytica protein kinase, putative 0.0066 0.0713 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0745 0.0711
Loa Loa (eye worm) doublecortin family protein 0.0103 0.1344 0.1502
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0087 0.045
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0554 0.8948 0.8944
Plasmodium falciparum serine/threonine protein kinase, putative 0.0066 0.0713 0.5234
Loa Loa (eye worm) hypothetical protein 0.0024 0.0019 0.0021
Loa Loa (eye worm) AUR protein kinase 0.0066 0.0713 0.0796
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0114 0.1535 0.1504
Brugia malayi Protein kinase domain containing protein 0.0554 0.8948 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0554 0.8948 0.8944
Echinococcus multilocularis RUN 0.0103 0.1344 0.1312
Brugia malayi hypothetical protein 0.0028 0.0087 0.0076
Loa Loa (eye worm) hypothetical protein 0.0046 0.0383 0.0428
Giardia lamblia Kinase, TTK 0.0554 0.8948 1
Brugia malayi Bromodomain containing protein 0.0085 0.1037 0.114
Echinococcus granulosus aurora kinase A 0.0066 0.0713 0.0679
Toxoplasma gondii aurora kinase 0.0066 0.0713 0.4576
Trichomonas vaginalis CAMK family protein kinase 0.0554 0.8948 1
Plasmodium falciparum LCCL domain-containing protein 0.0103 0.1344 1
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0713 0.0777
Schistosoma mansoni hypothetical protein 0.0103 0.1344 0.1344
Trichomonas vaginalis CAMK family protein kinase 0.0554 0.8948 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0087 0.0515
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0066 0.0713 0.5234
Brugia malayi hypothetical protein 0.0103 0.1344 0.1484
Schistosoma mansoni lipoxygenase 0.0616 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0066 0.0713 1
Brugia malayi hypothetical protein 0.0348 0.548 0.6115
Echinococcus multilocularis lipoxygenase domain containing protein 0.0103 0.1344 0.1312
Loa Loa (eye worm) AUR protein kinase 0.0066 0.0713 0.0796
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0713 0.0713
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0036 0.0036
Entamoeba histolytica protein kinase, putative 0.0066 0.0713 0.5
Echinococcus multilocularis aurora kinase A 0.0066 0.0713 0.0679
Onchocerca volvulus 0.0103 0.1344 0.1484
Loa Loa (eye worm) hypothetical protein 0.0043 0.0338 0.0378
Loa Loa (eye worm) hypothetical protein 0.0103 0.1344 0.1502
Brugia malayi Doublecortin family protein 0.0103 0.1344 0.1484
Brugia malayi PHD-finger family protein 0.0028 0.0082 0.007
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0713 0.0777
Brugia malayi serine/threonine-protein kinase 6 0.0066 0.0713 0.0777
Brugia malayi serine/threonine protein kinase 6 0.0066 0.0713 0.0777
Loa Loa (eye worm) hypothetical protein 0.0348 0.548 0.6124
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0713 0.0777
Trichomonas vaginalis AGC family protein kinase 0.0066 0.0713 0.0777
Entamoeba histolytica protein kinase domain containing protein 0.0066 0.0713 0.5
Brugia malayi serine/threonine kinase 12 0.0066 0.0713 0.0777
Trypanosoma brucei aurora B kinase 0.0066 0.0713 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0103 0.1344 0.1312
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0066 0.0713 0.5
Schistosoma mansoni loxhd1 0.0103 0.1344 0.1344
Echinococcus granulosus lipoxygenase domain containing protein 0.0103 0.1344 0.1312
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0554 0.8948 0.8948
Schistosoma mansoni microsomal glutathione s-transferase 0.0114 0.1535 0.1535
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0066 0.0713 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.042 0.0469
Brugia malayi Bromodomain containing protein 0.0043 0.0337 0.0356
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0745 0.0711
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.0292 0.0256
Schistosoma mansoni lipoxygenase 0.0431 0.6872 0.6872
Schistosoma mansoni polycystin 1-related 0.0103 0.1344 0.1344
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0066 0.0713 0.0679
Schistosoma mansoni bromodomain containing protein 0.0072 0.0813 0.0813
Plasmodium vivax multidomain scavenger receptor, putative 0.0103 0.1344 1

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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