Detailed information for compound 45649

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.422 | Formula: C22H23NO4
  • H donors: 0 H acceptors: 2 LogP: 4.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(c2ccc(cc2)OC(=O)C)c(c2c1ccc(c2)OC(=O)C)CC
  • InChi: 1S/C22H23NO4/c1-5-19-20-13-18(27-15(4)25)11-12-21(20)23(6-2)22(19)16-7-9-17(10-8-16)26-14(3)24/h7-13H,5-6H2,1-4H3
  • InChiKey: HSWBGCGXESXTTO-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
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.0738 0.0995
Echinococcus granulosus Glycosyl transferase family 35 0.0209 0.4 0.5392
Schistosoma mansoni glycogen phosphorylase 0.009 0.1228 0.1858
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.0738 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.0738 0.1117
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.0738 0.0738
Giardia lamblia Glycogen phosphorylase 0.0209 0.4 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.0738 0.0421
Schistosoma mansoni hypothetical protein 0.032 0.6607 1
Entamoeba histolytica glycogenphosphorylase, putative 0.009 0.1228 0.3069
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0331 0.0501
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.006 0.0526 0.0526
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0526 0.0708
Echinococcus multilocularis glycogen phosphorylase 0.0209 0.4 0.5392
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.006 0.0526 0.0708
Chlamydia trachomatis glycogen phosphorylase 0.0209 0.4 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.0209 0.4 1
Schistosoma mansoni lozenge 0.0058 0.0481 0.0728
Entamoeba histolytica glycogen phosphorylase, putative 0.009 0.1228 0.3069
Echinococcus granulosus glycogen phosphorylase 0.0209 0.4 0.5392
Echinococcus granulosus transcription factor Dp 1 0.004 0.0055 0.0074
Onchocerca volvulus Glycogen phosphorylase homolog 0.0209 0.4 0.3795
Trichomonas vaginalis glycogen phosphorylase, putative 0.0209 0.4 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0431 0.0103
Echinococcus granulosus tumor protein p63 0.0355 0.7419 1
Loa Loa (eye worm) runx1 0.0058 0.0481 0.0155
Echinococcus multilocularis tumor protein p63 0.0355 0.7419 1
Loa Loa (eye worm) hypothetical protein 0.0465 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.0209 0.4 0.3795
Schistosoma mansoni glycogen phosphorylase 0.0209 0.4 0.6055
Entamoeba histolytica glycogen phosphorylase, putative 0.0209 0.4 1
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.009 0.1228 1
Echinococcus multilocularis Protein lozenge 0.0058 0.0481 0.0649
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.006 0.0526 0.0795
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.0738 0.0995
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.0738 0.1845
Echinococcus multilocularis Glycosyl transferase, family 35 0.0209 0.4 0.5392
Schistosoma mansoni glycogen phosphorylase 0.0209 0.4 0.6055
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0738 0.5
Entamoeba histolytica glycogen phosphorylase, putative 0.009 0.1228 0.3069
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.009 0.1228 1
Trichomonas vaginalis glycogen phosphorylase, putative 0.0209 0.4 0.5
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0055 0.0074
Echinococcus granulosus glycogen phosphorylase 0.0209 0.4 0.5392
Trypanosoma brucei RNA helicase, putative 0.032 0.6607 1
Brugia malayi carbohydrate phosphorylase 0.0209 0.4 0.4
Loa Loa (eye worm) hypothetical protein 0.0465 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.0738 0.5
Onchocerca volvulus 0.0465 1 1
Echinococcus multilocularis glycogen phosphorylase 0.0209 0.4 0.5392

Activities

Activity type Activity value Assay description Source Reference
Uterotrophic effect (functional) = 29.5 Uterotrophic activity in mice as uterus dry weight(mg)/body weight (g) *100 at 1 ug dose ChEMBL. 6492074
Uterotrophic effect (functional) = 39.1 Uterotrophic activity in mice as uterus dry weight(mg)/body weight (g) *100 at 5 ug dose ChEMBL. 6492074
Uterotrophic effect (functional) = 40.2 Uterotrophic activity in mice as uterus dry weight(mg)/body weight (g) *100 at 125 ug dose ChEMBL. 6492074
Uterotrophic effect (functional) = 42.4 Uterotrophic activity in mice as uterus dry weight(mg)/body weight (g) *100 at 25 ug dose ChEMBL. 6492074

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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