Detailed information for compound 1715890

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.448 | Formula: C23H26O8
  • H donors: 5 H acceptors: 5 LogP: 0.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](Oc2cc3c(cc2OC)C(=CCc2c3cccc2)CO)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C23H26O8/c1-29-17-8-15-13(10-24)7-6-12-4-2-3-5-14(12)16(15)9-18(17)30-23-22(28)21(27)20(26)19(11-25)31-23/h2-5,7-9,19-28H,6,10-11H2,1H3/t19-,20-,21+,22-,23-/m1/s1
  • InChiKey: SABDCGUULUIQAJ-XNBWIAOKSA-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
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.8719 0.9688
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1316 0.0687
Echinococcus granulosus chromobox protein 1 0.0071 0.2548 0.2293
Onchocerca volvulus 0.0031 0.0807 0.007
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.2149 0.1792
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0773 0.0039
Schistosoma mansoni chromobox protein 0.0071 0.2548 0.2276
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.1016 0.0366
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1183 0.0545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.3698 0.3726
Brugia malayi Bromodomain containing protein 0.003 0.0742 0.0827
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1183 0.0545
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0773 0.0039
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0742 0.0022
Loa Loa (eye worm) hypothetical protein 0.004 0.1183 0.0536
Echinococcus multilocularis long chain fatty acid transport protein 4 0.0211 0.8676 1
Trichomonas vaginalis chromobox protein, putative 0.0071 0.2548 0.2008
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.1316 0.0619
Brugia malayi chromobox protein homolog 3 0.004 0.1183 0.1319
Brugia malayi Heterochromatin protein 1 0.0071 0.2548 0.2839
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0773 0.0039
Brugia malayi Pre-SET motif family protein 0.0212 0.8719 0.9714
Brugia malayi AMP-binding enzyme family protein 0.0218 0.8975 1
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0211 0.8676 0.5
Mycobacterium ulcerans long-chain-acyl-CoA synthetase 0.0218 0.8975 1
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.2548 0.2193
Schistosoma mansoni FFA transport protein 0.0211 0.8676 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0218 0.8975 1
Brugia malayi Pre-SET motif family protein 0.003 0.0773 0.0862
Trichomonas vaginalis set domain proteins, putative 0.0242 1 1
Giardia lamblia PHD finger protein 15 0.003 0.0742 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.2126 0.1681
Trichomonas vaginalis chromobox protein, putative 0.0071 0.2548 0.2008
Brugia malayi jmjC domain containing protein 0.0097 0.3698 0.4121
Plasmodium falciparum phd finger protein, putative 0.003 0.0742 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0773 0.0039
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.1251 0.0641
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.1016 0.0332
Echinococcus granulosus peregrin 0.003 0.0742 0.0022
Echinococcus granulosus long chain fatty acid transport protein 4 0.0211 0.8676 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.2149 0.1773
Plasmodium vivax SET domain protein, putative 0.003 0.0773 1
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0773 0.0062
Loa Loa (eye worm) hypothetical protein 0.0051 0.167 0.1128
Loa Loa (eye worm) hypothetical protein 0.0031 0.0807 0.0079
Mycobacterium leprae possible long-chain acyl-CoA synthase 0.0209 0.8556 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.2149 1
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1316 0.0687
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.3698 0.374
Schistosoma mansoni chromobox protein 0.0071 0.2548 0.2276
Brugia malayi PHD-finger family protein 0.003 0.0742 0.0827
Echinococcus granulosus jumonji domain containing protein 0.0041 0.1251 0.0662
Schistosoma mansoni jumonji domain containing protein 0.0077 0.2824 0.2624
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.1016 0.0345
Brugia malayi jmjC domain containing protein 0.0036 0.1016 0.1132
Trypanosoma cruzi fatty acid transporter protein-like, putative 0.0211 0.8676 0.5
Echinococcus multilocularis chromobox protein 1 0.0071 0.2548 0.2276
Onchocerca volvulus 0.0042 0.1281 0.0583
Leishmania major fatty acid transporter protein-like protein 0.0209 0.8556 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.1281 0.068
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.1016 0.0345
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.1183 0.0477
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0773 0.0039
Loa Loa (eye worm) hypothetical protein 0.003 0.0773 0.0038
Echinococcus granulosus chromobox protein 1 0.0071 0.2548 0.2293
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.2149 0.1773
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD6 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0209 0.8556 1
Echinococcus multilocularis chromobox protein 1 0.0071 0.2548 0.2276
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0773 0.0221
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.2149 0.1773
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.1016 0.0345

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.
 
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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