Detailed information for compound 2244926

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.194 | Formula: C25H28O5
  • H donors: 3 H acceptors: 4 LogP: 5.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CC(c1cc([C@@H]2CC(=O)c3c(O2)c(CC=C(C)C)c(cc3)O)c(cc1O)O)(C)C
  • InChi: InChI=1S/C25H28O5/c1-6-25(4,5)18-11-17(20(27)12-22(18)29)23-13-21(28)16-9-10-19(26)15(24(16)30-23)8-7-14(2)3/h6-7,9-12,23,26-27,29H,1,8,13H2,2-5H3/t23-/m0/s1
  • InChiKey: SOHFHCNOQQUVMC-QHCPKHFHSA-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 GA binding protein alpha chain 0.007 0.0596 0.2048
Brugia malayi Fli-1 protein 0.0213 0.261 0.2599
Echinococcus multilocularis leukotriene A 4 hydrolase 0.023 0.2853 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.1452 0.1439
Brugia malayi follicle stimulating hormone receptor 0.0229 0.2838 0.2827
Echinococcus multilocularis serotonin transporter 0.0148 0.1694 0.5917
Loa Loa (eye worm) hypothetical protein 0.0377 0.4919 0.4912
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0015 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2046 0.1027
Leishmania major C-8 sterol isomerase-like protein 0.0738 1 0.5
Onchocerca volvulus 0.0064 0.0508 0.1743
Loa Loa (eye worm) hypothetical protein 0.0079 0.0723 0.0709
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.245 0.2438
Trichomonas vaginalis set domain proteins, putative 0.023 0.2842 0.7593
Loa Loa (eye worm) hypothetical protein 0.0148 0.1694 0.1682
Schistosoma mansoni ets-related 0.0213 0.261 0.9143
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2046 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Onchocerca volvulus 0.0148 0.1694 0.5939
Brugia malayi Cytochrome P450 family protein 0.0032 0.0061 0.0046
Echinococcus multilocularis serotonin receptor 0.0131 0.1452 0.5064
Echinococcus granulosus single minded 2 0.0035 0.0099 0.0347
Loa Loa (eye worm) leukotriene A4 hydrolase 0.023 0.2853 0.2842
Echinococcus granulosus jun protein 0.0081 0.0754 0.2643
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.023 0.2853 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.0754 0.2604
Loa Loa (eye worm) serotonin transporter b 0.0148 0.1694 0.1682
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0148 0.1694 0.1682
Brugia malayi Ets-domain containing protein 0.007 0.0596 0.0582
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.3134 0.3124
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1694 0.1682
Echinococcus granulosus serotonin transporter 0.0148 0.1694 0.5938
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0738 1 0.5
Brugia malayi hypothetical protein 0.0106 0.11 0.1086
Trypanosoma brucei C-8 sterol isomerase, putative 0.0738 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0422 0.5552 0.5546
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.1921 0.6743
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.3134 0.3124
Loa Loa (eye worm) norepinephrine transporter 0.0148 0.1694 0.1682
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.0754 0.2643
Mycobacterium ulcerans putative regulatory protein 0.0035 0.0099 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.1452 0.1439
Echinococcus granulosus biogenic amine 5HT receptor 0.0131 0.1452 0.509
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0148 0.1694 0.5917
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) fli-1 protein 0.0213 0.261 0.2599
Plasmodium vivax SET domain protein, putative 0.0029 0.0015 0.5
Echinococcus multilocularis serotonin receptor 0.0131 0.1452 0.5064
Brugia malayi Pre-SET motif family protein 0.0202 0.245 0.2438
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.0596 0.0582
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0061 0.0046
Schistosoma mansoni sodium/chloride dependent transporter 0.0148 0.1694 0.5917
Brugia malayi hypoxia-induced factor 1 0.0146 0.1663 0.1651
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0015 0.0053
Loa Loa (eye worm) hypothetical protein 0.0422 0.5552 0.5546
Brugia malayi hypothetical protein 0.0064 0.0508 0.0494
Schistosoma mansoni jun-related protein 0.0066 0.0539 0.1847
Treponema pallidum sodium- and chloride- dependent transporter 0.0148 0.1694 0.5
Echinococcus granulosus leukotriene A 4 hydrolase 0.023 0.2853 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0131 0.1452 0.5064
Echinococcus granulosus GA binding protein alpha chain 0.007 0.0596 0.209
Loa Loa (eye worm) hypoxia-induced factor 1 0.0146 0.1663 0.1651
Brugia malayi bZIP transcription factor family protein 0.0081 0.0754 0.074
Schistosoma mansoni gabp alpha 0.007 0.0596 0.2048
Brugia malayi hypothetical protein 0.0158 0.1836 0.1824
Loa Loa (eye worm) solute carrier family 6 member 4 0.0148 0.1694 0.1682
Schistosoma mansoni hypothetical protein 0.0066 0.0539 0.1847
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Schistosoma mansoni single-minded 0.0047 0.0272 0.0904
Loa Loa (eye worm) hypothetical protein 0.0158 0.1836 0.1824
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.2838 0.2827
Echinococcus multilocularis transfer RNA-Lys 0.0035 0.0099 0.0296
Onchocerca volvulus 0.0035 0.0099 0.0297
Loa Loa (eye worm) hypothetical protein 0.0148 0.1694 0.1682
Loa Loa (eye worm) hypothetical protein 0.006 0.0453 0.0439
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.3134 1
Brugia malayi bHLH-PAS transcription factor 0.0035 0.0099 0.0084
Echinococcus multilocularis jun protein 0.0081 0.0754 0.2604
Loa Loa (eye worm) hypothetical protein 0.0738 1 1
Onchocerca volvulus 0.023 0.2842 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0272 0.0904
Brugia malayi PAS domain containing protein 0.0047 0.0272 0.0257

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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