Detailed information for compound 920016

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 460.474 | Formula: C24H28O9
  • H donors: 0 H acceptors: 1 LogP: 2.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)c(C)c2c(c1OC)C(=O)[C@]1(OC2)OCc2c1c(OC)c(c(c2C)OC)OC
  • InChi: 1S/C24H28O9/c1-11-13-9-32-24(23(25)15(13)19(28-5)21(30-7)17(11)26-3)16-14(10-33-24)12(2)18(27-4)22(31-8)20(16)29-6/h9-10H2,1-8H3/t24-/m1/s1
  • InChiKey: JJQRYVJZLKYSFP-XMMPIXPASA-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
Schistosoma mansoni BC026374 protein (S09 family) 0.0056 0.0959 0.0959
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0056 0.0959 0.2698
Mycobacterium ulcerans carboxylesterase, LipT 0.0056 0.0959 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0112 0.2825 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Echinococcus granulosus acetylcholinesterase 0.033 1 1
Onchocerca volvulus 0.0056 0.0959 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0269 0.5
Onchocerca volvulus 0.0056 0.0959 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Brugia malayi hypothetical protein 0.0056 0.0959 0.0959
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.0269 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825
Echinococcus multilocularis General substrate transporter 0.0097 0.2304 0.2304
Echinococcus granulosus para nitrobenzyl esterase 0.0056 0.0959 0.0959
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0056 0.0959 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.0959 0.0959
Brugia malayi Carboxylesterase family protein 0.0056 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Brugia malayi Sugar transporter family protein 0.0112 0.2825 0.2825
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0269 0.5
Echinococcus granulosus acetylcholinesterase 0.033 1 1
Onchocerca volvulus 0.0056 0.0959 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Brugia malayi Carboxylesterase family protein 0.033 1 1
Echinococcus multilocularis acetylcholinesterase 0.033 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0056 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Brugia malayi Carboxylesterase family protein 0.0056 0.0959 0.0959
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0056 0.0959 0.5
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0056 0.0959 0.0959
Echinococcus multilocularis para nitrobenzyl esterase 0.0056 0.0959 0.0959
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Trypanosoma brucei glucose transporter 1E 0.0035 0.0269 0.5
Leishmania major glucose transporter, lmgt2 0.0035 0.0269 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.0959 0.0959
Leishmania major glucose transporter, lmgt1 0.0035 0.0269 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.033 1 1
Schistosoma mansoni acetylcholinesterase 0.0056 0.0959 0.0959
Echinococcus granulosus neuroligin 0.0056 0.0959 0.0959
Echinococcus granulosus BC026374 protein S09 family 0.0056 0.0959 0.0959
Mycobacterium tuberculosis Carboxylesterase LipT 0.0056 0.0959 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0056 0.0959 0.0959
Schistosoma mansoni glucose transport protein 0.0112 0.2825 0.2825
Schistosoma mansoni glucose transport protein 0.0112 0.2825 0.2825
Onchocerca volvulus 0.0056 0.0959 1
Plasmodium vivax hexose transporter 0.0112 0.2825 0.5
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0269 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825
Brugia malayi Carboxylesterase family protein 0.0056 0.0959 0.0959
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0269 0.5
Trypanosoma cruzi hexose transporter, putative 0.0035 0.0269 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0056 0.0959 0.0959
Echinococcus multilocularis neuroligin 0.0056 0.0959 0.0959
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0112 0.2825 0.2825
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0056 0.0959 0.2698
Loa Loa (eye worm) carboxylesterase 0.033 1 1
Loa Loa (eye worm) sugar transporter 0.0112 0.2825 0.2825
Loa Loa (eye worm) carboxylesterase 0.0056 0.0959 0.0959
Echinococcus multilocularis acetylcholinesterase 0.033 1 1
Onchocerca volvulus 0.0056 0.0959 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Echinococcus granulosus General substrate transporter 0.0097 0.2304 0.2304
Trypanosoma brucei glucose transporter 2A 0.0035 0.0269 0.5
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825
Schistosoma mansoni glucose transport protein 0.0112 0.2825 0.2825
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0056 0.0959 0.0959
Trypanosoma cruzi hexose transporter 0.0035 0.0269 0.5
Brugia malayi Carboxylesterase family protein 0.0056 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Loa Loa (eye worm) hypothetical protein 0.033 1 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Trypanosoma brucei glucose transporter, putative 0.0035 0.0269 0.5
Loa Loa (eye worm) carboxylesterase 0.0056 0.0959 0.0959
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.0269 0.5
Schistosoma mansoni hypothetical protein 0.0112 0.2825 0.2825
Echinococcus multilocularis carboxylesterase 5A 0.033 1 1
Schistosoma mansoni gliotactin 0.0056 0.0959 0.0959
Plasmodium falciparum hexose transporter 0.0112 0.2825 0.5
Echinococcus granulosus carboxylesterase 5A 0.033 1 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825
Leishmania major glucose transporter, lmgt3 0.0035 0.0269 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.033 1 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0112 0.2825 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0959 0.0959
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0112 0.2825 0.2825

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 uM Cytotoxicity against human K562 cells ChEMBL. 24967847

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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