Detailed information for compound 324818

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.449 | Formula: C26H22O7
  • H donors: 2 H acceptors: 5 LogP: 5.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(C(=O)OCC(CC2=C(O)C(=O)c3c(C2=O)cccc3)C)c(c2c1cccc2)O
  • InChi: 1S/C26H22O7/c1-14(11-19-22(27)17-9-5-6-10-18(17)24(29)25(19)30)13-33-26(31)20-12-21(32-2)15-7-3-4-8-16(15)23(20)28/h3-10,12,14,28,30H,11,13H2,1-2H3
  • InChiKey: GBGSRKSUJQDTJH-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 multilocularis protein farnesyltransferase alpha subunit 0.1677 1 1
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0435 0 0.5
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.1677 1 1
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.1677 1 1
Loa Loa (eye worm) hypothetical protein 0.1677 1 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0435 0 0.5
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.0841 0.327 0.327
Giardia lamblia Rab geranylgeranyltransferase 0.1677 1 1
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0841 0.327 0.327
Trypanosoma brucei hypothetical protein, conserved 0.0435 0 0.5
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0435 0 0.5
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0435 0 0.5
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0435 0 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1677 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1243 0.65 0.65
Plasmodium vivax prenyltransferase alpha subunit, putative 0.1677 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.1677 1 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.1677 1 1
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.1677 1 1
Schistosoma mansoni tyrosine kinase 0.0514 0.0635 0.0635
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0841 0.327 0.327
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0841 0.327 0.327
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0435 0 0.5
Toxoplasma gondii hypothetical protein 0.1243 0.65 1
Schistosoma mansoni tyrosine kinase 0.0502 0.054 0.054
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.0841 0.327 0.327
Trypanosoma cruzi hypothetical protein, conserved 0.0435 0 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1677 1 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.1677 1 1
Echinococcus granulosus tyrosine protein kinase shark 0.0514 0.0635 0.0635
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.0841 0.327 0.327
Trypanosoma cruzi hypothetical protein, conserved 0.0435 0 0.5
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0435 0 0.5
Echinococcus multilocularis tyrosine protein kinase shark 0.0514 0.0635 0.0635
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0841 0.327 0.327
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.0841 0.327 0.327
Schistosoma mansoni amine GPCR 0.1353 0.7389 0.7389
Onchocerca volvulus 0.0435 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) < 0.22 uM Concentration required to inhibit growth of african green monkey kidney cell line ChEMBL. 15317455
IC50 (functional) = 2.16 uM Concentration required to inhibit growth of human epidermoid carcinoma (KB) cell line ChEMBL. 15317455
IC50 (functional) = 2.16 uM Concentration required to inhibit growth of human epidermoid carcinoma (KB) cell line ChEMBL. 15317455
IC50 (functional) = 2.83 uM Concentration required to inhibit growth of human cervical carcinoma (HeLa) cell line ChEMBL. 15317455
IC50 (functional) = 2.83 uM Concentration required to inhibit growth of human cervical carcinoma (HeLa) cell line ChEMBL. 15317455
IC50 (functional) = 3.14 uM Concentration required to inhibit growth of human hepatocellular carcinoma (HepG2) cell line ChEMBL. 15317455
IC50 (functional) = 3.14 uM Concentration required to inhibit growth of human hepatocellular carcinoma (HepG2) cell line ChEMBL. 15317455

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 15317455

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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