Detailed information for compound 1804261

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.284 | Formula: C18H12O6
  • H donors: 1 H acceptors: 2 LogP: 3.37 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2oc3cccc(c3c(=O)c2c2c1[C@@H]1C=CO[C@@H]1O2)O
  • InChi: 1S/C18H12O6/c1-21-11-7-12-15(17-13(11)8-5-6-22-18(8)24-17)16(20)14-9(19)3-2-4-10(14)23-12/h2-8,18-19H,1H3/t8-,18+/m0/s1
  • InChiKey: RTEGHDUCQBDALB-DCXZOGHSSA-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
Brugia malayi hypothetical protein 0.0341 0.9886 1
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.7243 1
Leishmania major chitinase 0.0076 0.0484 0.0668
Entamoeba histolytica chitinase, putative 0.0076 0.0484 0.0668
Onchocerca volvulus Putative endochitinase 0.0085 0.0808 0.2052
Loa Loa (eye worm) hypothetical protein 0.012 0.2063 0.2063
Echinococcus granulosus dual specificity 0.0179 0.4157 0.4205
Loa Loa (eye worm) cuticular endochitinase 0.0076 0.0484 0.0484
Loa Loa (eye worm) microfilarial chitinase 0.0074 0.0412 0.0412
Loa Loa (eye worm) hypothetical protein 0.0176 0.4043 0.4043
Giardia lamblia Kinase, CMGC DYRK 0.0266 0.7243 1
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.7243 1
Loa Loa (eye worm) hypothetical protein 0.0176 0.4043 0.4043
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.7243 1
Brugia malayi Endochitinase 0.0085 0.0808 0.0817
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0179 0.4157 0.4157
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0341 0.9886 1
Echinococcus multilocularis dual specificity 0.0179 0.4157 0.4205
Brugia malayi endochitinase 0.0076 0.0484 0.0489
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.012 0.2063 0.2086
Echinococcus multilocularis dual specificity 0.0266 0.7243 0.7326
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.7243 1
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.7243 1
Entamoeba histolytica protein kinase, putative 0.0179 0.4157 0.5739
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0266 0.7243 1
Entamoeba histolytica protein kinase domain containing protein 0.0179 0.4157 0.5739
Plasmodium vivax hypothetical protein, conserved 0.012 0.2063 1
Schistosoma mansoni serine/threonine protein kinase 0.0266 0.7243 0.7326
Mycobacterium tuberculosis Possible chitinase 0.0065 0.0088 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0266 0.7243 0.7243
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0266 0.7243 1
Echinococcus granulosus dual specificity 0.0266 0.7243 0.7326
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0179 0.4157 0.5739
Brugia malayi endochitinase 0.0085 0.0808 0.0817
Brugia malayi GSG2 0.0341 0.9886 1
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.012 0.2063 0.2086
Schistosoma mansoni hypothetical protein 0.0341 0.9886 1
Onchocerca volvulus Putative endochitinase 0.0085 0.0808 0.2052
Echinococcus granulosus serine:threonine protein kinase haspin 0.0341 0.9886 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.0088 0.0088
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.012 0.2063 0.2086
Echinococcus multilocularis dual specificity 0.0266 0.7243 0.7326
Echinococcus granulosus serine:threonine protein kinase haspin 0.0341 0.9886 1
Echinococcus granulosus dual specificity 0.0266 0.7243 0.7326
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0266 0.7243 0.7326
Entamoeba histolytica hypothetical protein 0.0179 0.4157 0.5739
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0179 0.4157 0.5739
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0341 0.9886 1
Brugia malayi Protein kinase domain containing protein 0.0179 0.4157 0.4205
Loa Loa (eye worm) chitinase I 0.0076 0.0484 0.0484
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.0088 0.5
Onchocerca volvulus Putative endochitinase 0.0085 0.0808 0.2052
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0266 0.7243 1
Loa Loa (eye worm) haspin protein kinase 0.0341 0.9886 0.9886
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0179 0.4157 0.5739
Echinococcus multilocularis dual specificity 0.0266 0.7243 0.7326
Entamoeba histolytica protein kinase, putative 0.0179 0.4157 0.5739
Entamoeba histolytica protein kinase domain containing protein 0.0266 0.7243 1
Schistosoma mansoni serine/threonine protein kinase 0.0179 0.4157 0.4205
Loa Loa (eye worm) hypothetical protein 0.012 0.2063 0.2063
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0266 0.7243 1
Loa Loa (eye worm) haspin protein kinase 0.0341 0.9886 0.9886
Trichomonas vaginalis CMGC family protein kinase 0.0266 0.7243 1
Onchocerca volvulus 0.012 0.2063 1
Echinococcus granulosus dual specificity 0.0266 0.7243 0.7326
Entamoeba histolytica protein kinase, putative 0.0266 0.7243 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0341 0.9886 1
Plasmodium falciparum conserved protein, unknown function 0.012 0.2063 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0179 0.4157 0.5739
Mycobacterium ulcerans chitinase/cellulase 0.0065 0.0088 0.5
Schistosoma mansoni hypothetical protein 0.012 0.2063 0.2086
Onchocerca volvulus 0.012 0.2063 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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