Detailed information for compound 269036

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 544.592 | Formula: C32H32O8
  • H donors: 0 H acceptors: 0 LogP: 6.55 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 2
  • SMILES: C1COc2ccccc2OCCOc2ccc(cc2)OCCOc2c(OCCOc3ccc(O1)cc3)cccc2
  • InChi: 1S/C32H32O8/c1-2-6-30-29(5-1)37-21-17-33-25-9-11-27(12-10-25)35-19-23-39-31-7-3-4-8-32(31)40-24-20-36-28-15-13-26(14-16-28)34-18-22-38-30/h1-16H,17-24H2
  • InChiKey: MMUUGLZDLSUECU-UHFFFAOYSA-N  


Substructure search Similarity search

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
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Schistosoma mansoni serine/threonine protein kinase 0.01 0.0434 0.1337
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0177 0.1133 0.1532
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Brugia malayi MH2 domain containing protein 0.0122 0.0628 0.1749
Loa Loa (eye worm) matrixin family protein 0.0428 0.3423 0.4727
Echinococcus granulosus geminin 0.0184 0.1198 0.2171
Echinococcus multilocularis geminin 0.0184 0.1198 0.1741
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Schistosoma mansoni hypothetical protein 0.0071 0.0162 0.0475
Mycobacterium leprae PROBABLE HYDROLASE 0.0216 0.1485 0.5
Brugia malayi Matrixin family protein 0.0177 0.1133 0.3242
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0216 0.1485 0.428
Loa Loa (eye worm) hypothetical protein 0.0071 0.0162 0.0176
Echinococcus granulosus adam 17 protease 0.0441 0.354 0.6545
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0196 0.1307 0.1904
Echinococcus multilocularis adam 0.007 0.0154 0.0178
Echinococcus multilocularis Blood coagulation inhibitor, Disintegrin 0.0252 0.1813 0.2661
Brugia malayi metalloprotease disintegrin 16 with thrombospondin type I motif 0.0189 0.1245 0.3572
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0189 0.1245 0.1811
Brugia malayi Matrixin family protein 0.0428 0.3423 1
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.0628 0.0827
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0189 0.1245 0.39
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0196 0.1307 0.2375
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.0434 0.0745
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.6716 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0459 0.1252
Onchocerca volvulus Matrilysin homolog 0.0177 0.1133 0.2622
Loa Loa (eye worm) matrix metalloproteinase 0.0177 0.1133 0.1532
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.0434 0.1178
Brugia malayi hypothetical protein 0.007 0.0154 0.0351
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0058 0.0146
Trypanosoma brucei polo-like protein kinase 0.01 0.0434 0.5
Onchocerca volvulus 0.0251 0.1808 0.5154
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0644 0.539 0.8015
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.0035 0.0076
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.0628 0.0827
Onchocerca volvulus Matrilysin homolog 0.0393 0.31 1
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0177 0.1133 0.3547
Onchocerca volvulus 0.0177 0.1133 0.2622
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.0434 0.0597
Brugia malayi Hemopexin family protein 0.0251 0.1808 0.5233
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.0401 0.3175 1
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.1149 1 1
Loa Loa (eye worm) hypothetical protein 0.0843 0.7202 1
Giardia lamblia Kinase, NEK 0.1149 1 1
Trichomonas vaginalis AGC family protein kinase 0.1149 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0459 0.1252
Loa Loa (eye worm) hypothetical protein 0.0177 0.1133 0.1532
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0216 0.1485 1
Schistosoma mansoni hypothetical protein 0.0184 0.1198 0.3751
Schistosoma mansoni hypothetical protein 0.0303 0.2278 0.7163
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0644 0.539 1
Echinococcus multilocularis adam 17 protease 0.0401 0.3175 0.47
Echinococcus granulosus Blood coagulation inhibitor Disintegrin 0.0252 0.1813 0.332
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0189 0.1245 0.226
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0434 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.009 0.0339 0.1035
Plasmodium falciparum NIMA related kinase 1 0.1149 1 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0058 0.0146
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.0434 0.5
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.1149 1 0.5
Giardia lamblia Kinase, NEK 0.1149 1 1
Schistosoma mansoni hypothetical protein 0.0251 0.1808 0.568
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0459 0.0592
Mycobacterium ulcerans hydrolase 0.0216 0.1485 1
Echinococcus granulosus adam 0.007 0.0154 0.0222
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0058 0.0042
Loa Loa (eye worm) hypothetical protein 0.0103 0.0459 0.0592
Loa Loa (eye worm) hypothetical protein 0.0216 0.1485 0.2023
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0162 0.0373
Schistosoma mansoni hypothetical protein 0.0184 0.1198 0.3751
Trichomonas vaginalis STE family protein kinase 0.1149 1 1
Brugia malayi Matrixin family protein 0.0177 0.1133 0.3242
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.0434 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.0434 1
Loa Loa (eye worm) hypothetical protein 0.0177 0.1133 0.1532
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.0434 0.0557
Loa Loa (eye worm) matrixin family protein 0.0393 0.31 0.4276
Trichomonas vaginalis CAMK family protein kinase 0.01 0.0434 0.0434
Brugia malayi Matrixin family protein 0.0177 0.1133 0.3242
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.007 0.0154 0.0452
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0058 0.0033
Brugia malayi Matrixin family protein 0.0177 0.1133 0.3242
Onchocerca volvulus Matrix metalloproteinase homolog 0.0393 0.31 1

Activities

Activity type Activity value Assay description Source Reference
Lethal dose (ADMET) = 81 p.p.m. In vitro lethal dose of compound against E. tenella in chicken kidney cell cultures ChEMBL. 6220152

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.
 
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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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