Detailed information for compound 1885411

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.495 | Formula: C26H26N2O5
  • H donors: 2 H acceptors: 4 LogP: 4.31 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)C1N(CCc2c[nH]c3c2cccc3)C(=O)C(=C1C(=O)C(C)C)O
  • InChi: 1S/C26H26N2O5/c1-15(2)23(29)21-22(16-8-10-17(11-9-16)26(32)33-3)28(25(31)24(21)30)13-12-18-14-27-20-7-5-4-6-19(18)20/h4-11,14-15,22,27,30H,12-13H2,1-3H3
  • InChiKey: PTQKJRSUGYCEKS-UHFFFAOYSA-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
Schistosoma mansoni kinesin eg-5 0.0139 0.1045 0.1206
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0074 0.0086
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.018 0.1438 1
Plasmodium falciparum kinesin-5 0.0139 0.1045 0.5
Giardia lamblia Kinesin-5 0.0139 0.1045 0.5
Schistosoma mansoni hypothetical protein 0.0929 0.8663 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0192 0.156 1
Schistosoma mansoni voltage-gated potassium channel 0.021 0.1731 0.1998
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0192 0.156 0.1497
Loa Loa (eye worm) hypothetical protein 0.0056 0.0245 0.1145
Schistosoma mansoni voltage-gated potassium channel 0.021 0.1731 0.1998
Echinococcus granulosus voltage gated potassium channel 0.0056 0.0245 0.0171
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0056 0.0245 0.0171
Echinococcus multilocularis voltage gated potassium channel 0.0056 0.0245 0.0171
Echinococcus multilocularis kinesin family 1 0.1068 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0074 0.0086
Loa Loa (eye worm) hypothetical protein 0.0167 0.1316 0.8354
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0245 0.0282
Brugia malayi Kinesin motor domain containing protein 0.0139 0.1045 0.6532
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0192 0.156 0.1497
Toxoplasma gondii kinesin motor domain-containing protein 0.0139 0.1045 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0074 0.0086
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.018 0.1438 1
Schistosoma mansoni voltage-gated potassium channel 0.0038 0.0074 0.0086
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0056 0.0245 0.0171
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0074 0.0086
Loa Loa (eye worm) kinesin-like protein KLP2 0.0139 0.1045 0.6532
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0056 0.0245 0.1145
Entamoeba histolytica kinesin, putative 0.0139 0.1045 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0074 0.0086
Plasmodium vivax kinesin-5 0.0139 0.1045 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0192 0.156 1
Schistosoma mansoni voltage-gated potassium channel 0.0056 0.0245 0.0282

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 87 % Potentiation of rat recombinant GluN1/GluN2B expressed in Xenopus laevis oocytes assessed as increase in glutamate/glycine-induced current response at 30 uM by two-electrode voltage clamp technique relative to control ChEMBL. 24512267
Activity (binding) = 89 % Potentiation of rat recombinant GluN1/GluN2D expressed in Xenopus laevis oocytes assessed as increase in glutamate/glycine-induced current response at 30 uM by two-electrode voltage clamp technique relative to control ChEMBL. 24512267
Activity (binding) = 95 % Potentiation of rat recombinant GluN1/GluN2A expressed in Xenopus laevis oocytes assessed as increase in glutamate/glycine-induced current response at 30 uM by two-electrode voltage clamp technique relative to control ChEMBL. 24512267
EC50 (binding) = 61 uM Potentiation of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as increase in glutamate/glycine-induced current response by two-electrode voltage clamp technique relative to control ChEMBL. 24512267
max activation (binding) = 119 % Potentiation of rat recombinant GluN1/GluN2C expressed in Xenopus laevis oocytes assessed as increase in glutamate/glycine-induced current response at 100 uM by two-electrode voltage clamp technique relative to control ChEMBL. 24512267

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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