Detailed information for compound 1823756

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 893.881 | Formula: C42H55NO20
  • H donors: 7 H acceptors: 10 LogP: -0.68 Rotable bonds: 21
    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](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O)O[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1O)O)O)OC(=O)C
  • InChi: 1S/C42H55NO20/c1-20-37(58-23(4)46)38(62-40-35(52)33(50)31(48)28(60-40)18-55-21(2)44)39(63-41-36(53)34(51)32(49)29(61-41)19-56-22(3)45)42(57-20)59-27-13-8-25(9-14-27)16-17-43-30(47)15-10-24-6-11-26(54-5)12-7-24/h6-15,20,28-29,31-42,48-53H,16-19H2,1-5H3,(H,43,47)/b15-10-/t20-,28+,29+,31+,32+,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-/m0/s1
  • InChiKey: BAQZGZKEEFSETE-KHIRXCIMSA-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 twik family of potassium channels 0.2415 0.0437 0.0437
Toxoplasma gondii ion channel protein 0.2415 0.0437 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.2415 0.0437 0.5
Trypanosoma cruzi ion transport protein, putative 0.2415 0.0437 0.5
Toxoplasma gondii ion channel protein 0.2415 0.0437 0.5
Giardia lamblia Hypothetical protein 0.2415 0.0437 0.5
Plasmodium falciparum potassium channel 0.2415 0.0437 0.5
Echinococcus multilocularis potassium channel subfamily K 8 0.2415 0.0437 0.0437
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 granulosus twik family of potassium channels 0.2415 0.0437 0.0437
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.9685 0.228 0.228
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.2415 0.0437 0.5
Leishmania major calcium channel protein, putative,ion transporter, putative 0.9685 0.228 1
Echinococcus granulosus sodium channel protein 0.9685 0.228 0.228
Schistosoma mansoni twik family of potassium channels-related 4.0127 1 1
Trypanosoma cruzi calcium-activated potassium channel, putative 0.2415 0.0437 0.5
Trypanosoma brucei calcium-activated potassium channel, putative 0.2415 0.0437 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.2415 0.0437 0.5
Echinococcus multilocularis calcium activated potassium channel variant 0.2415 0.0437 0.0437
Plasmodium falciparum potassium channel 0.2415 0.0437 0.5
Echinococcus multilocularis twik family of potassium channels 0.2415 0.0437 0.0437
Echinococcus multilocularis sodium channel protein 0.9685 0.228 0.228
Echinococcus granulosus potassium channel subfamily K 0.2415 0.0437 0.0437
Brugia malayi Serine/threonine-protein kinase Pim-3 2.118 0.5195 0.4976
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.2415 0.0437 0.5
Loa Loa (eye worm) CAMK/PIM protein kinase 2.118 0.5195 0.4976
Trypanosoma cruzi calcium-activated potassium channel, putative 0.2415 0.0437 0.5
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.2415 0.0437 0.5
Brugia malayi Protein kinase domain containing protein 2.118 0.5195 0.4976
Loa Loa (eye worm) hypothetical protein 4.0127 1 1
Echinococcus granulosus potassium channel subfamily K 8 0.2415 0.0437 0.0437
Echinococcus multilocularis potassium channel subfamily K 0.2415 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 4.0127 1 1
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.2415 0.0437 0.5
Echinococcus granulosus twik family of potassium channels 0.2415 0.0437 0.0437
Loa Loa (eye worm) hypothetical protein 3.7712 0.9388 0.936
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.2415 0.0437 0.0437
Echinococcus multilocularis small conductance calcium activated potassium 0.2415 0.0437 0.0437
Trichomonas vaginalis voltage and ligand gated potassium channel, 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
Onchocerca volvulus Serine\/threonine protein kinase homolog 2.118 0.5195 1
Echinococcus granulosus small conductance calcium activated potassium 0.2415 0.0437 0.0437
Echinococcus multilocularis potassium channel subfamily K 8 0.2415 0.0437 0.0437
Plasmodium vivax potassium channel, putative 0.2415 0.0437 0.5
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.2415 0.0437 0.5
Echinococcus multilocularis Two pore potassium channel protein sup 9 4.0127 1 1
Echinococcus granulosus TWiK family of potassium channels protein 7 0.2415 0.0437 0.0437
Echinococcus granulosus Two pore potassium channel protein sup 9 4.0127 1 1
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
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 2.118 0.5195 0.5195
Trypanosoma cruzi hypothetical protein, conserved 0.2415 0.0437 0.5
Echinococcus granulosus calcium activated potassium channel variant 0.2415 0.0437 0.0437
Trypanosoma cruzi ion transport protein, putative 0.2415 0.0437 0.5
Echinococcus granulosus proto oncogene serine:threonine protein kinase 2.118 0.5195 0.5195
Mycobacterium ulcerans ion transport protein 0.2415 0.0437 0.5
Plasmodium vivax potassium channel, putative 0.2415 0.0437 0.5
Schistosoma mansoni serine/threonine protein kinase 2.118 0.5195 0.4976

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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