Detailed information for compound 923141

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 872.911 | Formula: C49H48N2O13
  • H donors: 0 H acceptors: 1 LogP: 7.82 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc2OCOc2c2c1c1cc(OC)c3c(c1N([C@H]2CC(=O)C[C@H]1c2c4OCOc4cc(c2c2c(N1C)c1cc(OC)c(cc1c(c2)OC)OC)OC)C)cc(c(c3)OC)OC
  • InChi: 1S/C49H48N2O13/c1-50-30(44-42(38(59-9)19-40-48(44)63-21-61-40)28-17-32(53-3)24-13-34(55-5)36(57-7)15-26(24)46(28)50)11-23(52)12-31-45-43(39(60-10)20-41-49(45)64-22-62-41)29-18-33(54-4)25-14-35(56-6)37(58-8)16-27(25)47(29)51(31)2/h13-20,30-31H,11-12,21-22H2,1-10H3/t30-,31-/m0/s1
  • InChiKey: HYTALYRVGMQUKW-CONSDPRKSA-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
Loa Loa (eye worm) sema domain-containing protein 0.0022 0.2348 0.2348
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0037 0.5312 0.5312
Echinococcus multilocularis hypothetical protein 0.0022 0.2348 0.2348
Loa Loa (eye worm) hypothetical protein 0.0022 0.2348 0.2348
Loa Loa (eye worm) hypothetical protein 0.0022 0.2348 0.2348
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0037 0.5312 0.5312
Brugia malayi Sema domain containing protein 0.0022 0.2348 0.2348
Brugia malayi Sema domain containing protein 0.0022 0.2348 0.2348
Loa Loa (eye worm) hypothetical protein 0.0052 0.8169 0.8169
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0239 0.0292
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.4842 1
Onchocerca volvulus 0.0052 0.8169 1
Loa Loa (eye worm) hypothetical protein 0.003 0.3991 0.3991
Brugia malayi hypothetical protein 0.0022 0.2348 0.2348
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0239 0.0239
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0239 0.0239
Schistosoma mansoni plexin 0.0052 0.8169 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0239 0.0239
Schistosoma mansoni hypothetical protein 0.0022 0.2348 0.2874
Entamoeba histolytica tyrosin kinase, putative 0.0012 0.0489 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.4369 0.4369
Schistosoma mansoni hypothetical protein 0.0022 0.2348 0.2874
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0239 0.0292
Loa Loa (eye worm) hypothetical protein 0.0022 0.2348 0.2348
Echinococcus granulosus plexin a4 0.0062 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0012 0.0489 1
Brugia malayi hypothetical protein 0.0022 0.2348 0.2348
Schistosoma mansoni hypothetical protein 0.003 0.3991 0.4885
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0239 0.0239
Loa Loa (eye worm) hypothetical protein 0.0022 0.2348 0.2348
Schistosoma mansoni semaphorin 5-related 0.0022 0.2348 0.2874
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.5968 0.7306
Brugia malayi Plexin repeat family protein 0.0052 0.8169 0.8169
Loa Loa (eye worm) plexin A 0.0062 1 1
Loa Loa (eye worm) sema domain-containing protein 0.0022 0.2348 0.2348
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0239 0.0239
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.4842 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.2348 0.2348
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.5968 0.7306
Loa Loa (eye worm) hypothetical protein 0.0022 0.2348 0.2348
Echinococcus multilocularis semaphorin 5B 0.0022 0.2348 0.2348
Echinococcus granulosus semaphorin 1A 0.0022 0.2348 0.2348
Schistosoma mansoni plexin 0.003 0.3991 0.4885
Echinococcus multilocularis plexin a4 0.0062 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0037 0.5312 0.5312
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0037 0.5312 0.5312
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0239 0.0239
Echinococcus granulosus semaphorin 5B 0.0022 0.2348 0.2348

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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