Detailed information for compound 947212

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.487 | Formula: C25H28O5
  • H donors: 3 H acceptors: 4 LogP: 5.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CCc1cc(c(cc1O)O)C1CC(=O)c2c(O1)c(CC=C(C)C)c(cc2)O)C
  • InChi: 1S/C25H28O5/c1-14(2)5-7-16-11-19(22(28)12-21(16)27)24-13-23(29)18-9-10-20(26)17(25(18)30-24)8-6-15(3)4/h5-6,9-12,24,26-28H,7-8,13H2,1-4H3
  • InChiKey: LCPLIOQWSCIPTN-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
Schistosoma mansoni gabp alpha 0.007 0.0596 0.2048
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0596 0.209
Loa Loa (eye worm) hypothetical protein 0.0377 0.4919 0.4912
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.245 0.2438
Echinococcus granulosus serotonin transporter 0.0148 0.1694 0.5938
Loa Loa (eye worm) hypothetical protein 0.0079 0.0723 0.0709
Onchocerca volvulus 0.0035 0.0099 0.0297
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Brugia malayi bZIP transcription factor family protein 0.0081 0.0754 0.074
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.1921 0.6743
Onchocerca volvulus 0.023 0.2842 1
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0099 0.0296
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2046 0.1027
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0061 0.0046
Loa Loa (eye worm) hypothetical protein 0.0148 0.1694 0.1682
Loa Loa (eye worm) hypothetical protein 0.0738 1 1
Schistosoma mansoni hypothetical protein 0.0066 0.0539 0.1847
Brugia malayi Fli-1 protein 0.0213 0.261 0.2599
Brugia malayi hypoxia-induced factor 1 0.0146 0.1663 0.1651
Echinococcus granulosus biogenic amine 5HT receptor 0.0131 0.1452 0.509
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0148 0.1694 0.1682
Echinococcus granulosus leukotriene A 4 hydrolase 0.023 0.2853 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0148 0.1694 0.5917
Loa Loa (eye worm) norepinephrine transporter 0.0148 0.1694 0.1682
Loa Loa (eye worm) hypothetical protein 0.0158 0.1836 0.1824
Loa Loa (eye worm) hypothetical protein 0.0422 0.5552 0.5546
Loa Loa (eye worm) serotonin transporter b 0.0148 0.1694 0.1682
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.0754 0.2643
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Leishmania major C-8 sterol isomerase-like protein 0.0738 1 0.5
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0272 0.0904
Brugia malayi Pre-SET motif family protein 0.0202 0.245 0.2438
Loa Loa (eye worm) solute carrier family 6 member 4 0.0148 0.1694 0.1682
Loa Loa (eye worm) hypothetical protein 0.0148 0.1694 0.1682
Echinococcus multilocularis serotonin receptor 0.0131 0.1452 0.5064
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.0596 0.2048
Onchocerca volvulus 0.0148 0.1694 0.5939
Onchocerca volvulus 0.0064 0.0508 0.1743
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2046 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Echinococcus granulosus jun protein 0.0081 0.0754 0.2643
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0596 0.0582
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0099 0.5
Brugia malayi Cytochrome P450 family protein 0.0032 0.0061 0.0046
Brugia malayi hypothetical protein 0.0064 0.0508 0.0494
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.3134 0.3124
Loa Loa (eye worm) hypothetical protein 0.0131 0.1452 0.1439
Echinococcus granulosus single minded 2 0.0035 0.0099 0.0347
Brugia malayi follicle stimulating hormone receptor 0.0229 0.2838 0.2827
Brugia malayi hypothetical protein 0.0106 0.11 0.1086
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0099 0.0084
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0015 0.0053
Loa Loa (eye worm) hypothetical protein 0.0148 0.1694 0.1682
Brugia malayi Ets-domain containing protein 0.007 0.0596 0.0582
Loa Loa (eye worm) hypothetical protein 0.0422 0.5552 0.5546
Echinococcus multilocularis serotonin receptor 0.0131 0.1452 0.5064
Trypanosoma brucei C-8 sterol isomerase, putative 0.0738 1 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.0754 0.2604
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.3134 0.3124
Schistosoma mansoni jun-related protein 0.0066 0.0539 0.1847
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Echinococcus multilocularis serotonin transporter 0.0148 0.1694 0.5917
Loa Loa (eye worm) hypothetical protein 0.006 0.0453 0.0439
Plasmodium vivax SET domain protein, putative 0.0029 0.0015 0.5
Brugia malayi hypothetical protein 0.0158 0.1836 0.1824
Echinococcus multilocularis leukotriene A 4 hydrolase 0.023 0.2853 1
Brugia malayi PAS domain containing protein 0.0047 0.0272 0.0257
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.023 0.2853 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0015 0.5
Loa Loa (eye worm) fli-1 protein 0.0213 0.261 0.2599
Echinococcus multilocularis jun protein 0.0081 0.0754 0.2604
Treponema pallidum sodium- and chloride- dependent transporter 0.0148 0.1694 0.5
Schistosoma mansoni single-minded 0.0047 0.0272 0.0904
Loa Loa (eye worm) hypothetical protein 0.0131 0.1452 0.1439
Schistosoma mansoni sodium/chloride dependent transporter 0.0148 0.1694 0.5917
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.1663 0.1651
Trichomonas vaginalis set domain proteins, putative 0.023 0.2842 0.7593
Schistosoma mansoni biogenic amine (5HT) receptor 0.0131 0.1452 0.5064
Brugia malayi Ets-domain containing protein 0.007 0.0596 0.0582
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.023 0.2853 0.2842
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0738 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.2838 0.2827
Schistosoma mansoni ets-related 0.0213 0.261 0.9143

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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