Detailed information for compound 1823754

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 809.807 | Formula: C38H51NO18
  • H donors: 9 H acceptors: 10 LogP: -0.72 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 3
  • SMILES: COc1ccc(cc1)/C=C\C(=O)NCCc1ccc(cc1)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)OC(=O)C
  • InChi: 1S/C38H51NO18/c1-18-33(52-19(2)42)34(56-36-31(48)29(46)27(44)24(16-40)54-36)35(57-37-32(49)30(47)28(45)25(17-41)55-37)38(51-18)53-23-11-6-21(7-12-23)14-15-39-26(43)13-8-20-4-9-22(50-3)10-5-20/h4-13,18,24-25,27-38,40-41,44-49H,14-17H2,1-3H3,(H,39,43)/b13-8-/t18-,24+,25+,27+,28+,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-/m0/s1
  • InChiKey: GFQSYSIECYVTSY-IQEKSNGFSA-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
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.2415 0.0437 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.2415 0.0437 0.5
Echinococcus granulosus potassium channel subfamily K 8 0.2415 0.0437 0.0437
Echinococcus multilocularis potassium channel subfamily K 8 0.2415 0.0437 0.0437
Onchocerca volvulus Serine\/threonine protein kinase homolog 2.118 0.5195 1
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.2415 0.0437 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.2415 0.0437 0.5
Echinococcus multilocularis twik family of potassium channels 0.2415 0.0437 0.0437
Brugia malayi Protein kinase domain containing protein 2.118 0.5195 0.4976
Loa Loa (eye worm) CAMK/PIM protein kinase 2.118 0.5195 0.4976
Echinococcus granulosus twik family of potassium channels 0.2415 0.0437 0.0437
Mycobacterium ulcerans transmembrane cation transporter 0.2415 0.0437 0.5
Echinococcus granulosus TWiK family of potassium channels protein 7 0.2415 0.0437 0.0437
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 2.118 0.5195 0.5195
Echinococcus multilocularis sodium channel protein 0.9685 0.228 0.228
Echinococcus granulosus calcium activated potassium channel variant 0.2415 0.0437 0.0437
Mycobacterium ulcerans ion transport protein 0.2415 0.0437 0.5
Echinococcus multilocularis small conductance calcium activated potassium 0.2415 0.0437 0.0437
Echinococcus granulosus potassium channel subfamily K 0.2415 0.0437 0.0437
Trypanosoma cruzi calcium-activated potassium channel, putative 0.2415 0.0437 0.5
Echinococcus granulosus potassium channel subfamily K 8 0.2415 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 3.7712 0.9388 0.936
Echinococcus multilocularis Two pore potassium channel protein sup 9 4.0127 1 1
Loa Loa (eye worm) hypothetical protein 4.0127 1 1
Trypanosoma cruzi ion transport protein, putative 0.2415 0.0437 0.5
Plasmodium vivax potassium channel, putative 0.2415 0.0437 0.5
Leishmania major calcium channel protein, putative,ion transporter, putative 0.9685 0.228 1
Schistosoma mansoni serine/threonine protein kinase 2.118 0.5195 0.4976
Trypanosoma cruzi calcium-activated potassium channel, putative 0.2415 0.0437 0.5
Echinococcus multilocularis twik family of potassium channels 0.2415 0.0437 0.0437
Echinococcus multilocularis potassium channel subfamily K 8 0.2415 0.0437 0.0437
Echinococcus granulosus small conductance calcium activated potassium 0.2415 0.0437 0.0437
Toxoplasma gondii ion channel protein 0.2415 0.0437 0.5
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.2415 0.0437 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.2415 0.0437 0.5
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.9685 0.228 0.228
Trypanosoma cruzi hypothetical protein, conserved 0.2415 0.0437 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.2415 0.0437 0.5
Plasmodium vivax potassium channel, putative 0.2415 0.0437 0.5
Trypanosoma brucei calcium-activated potassium channel, putative 0.2415 0.0437 0.5
Giardia lamblia Hypothetical protein 0.2415 0.0437 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.2415 0.0437 0.5
Echinococcus granulosus twik family of potassium channels 0.2415 0.0437 0.0437
Trypanosoma cruzi hypothetical protein, conserved 0.2415 0.0437 0.5
Brugia malayi Serine/threonine-protein kinase Pim-3 2.118 0.5195 0.4976
Plasmodium falciparum potassium channel 0.2415 0.0437 0.5
Echinococcus granulosus sodium channel protein 0.9685 0.228 0.228
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.2415 0.0437 0.0437
Toxoplasma gondii ion channel protein 0.2415 0.0437 0.5
Schistosoma mansoni twik family of potassium channels-related 4.0127 1 1
Plasmodium falciparum potassium channel 0.2415 0.0437 0.5
Trypanosoma cruzi ion transport protein, putative 0.2415 0.0437 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 2.118 0.5195 0.4976
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.2415 0.0437 0.5
Echinococcus granulosus proto oncogene serine:threonine protein kinase 2.118 0.5195 0.5195
Echinococcus granulosus Two pore potassium channel protein sup 9 4.0127 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.2415 0.0437 0.5
Loa Loa (eye worm) hypothetical protein 4.0127 1 1
Echinococcus multilocularis potassium channel subfamily K 0.2415 0.0437 0.0437
Echinococcus multilocularis calcium activated potassium channel variant 0.2415 0.0437 0.0437

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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