Detailed information for compound 1734673

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 456.922 | Formula: C23H25ClN4O4
  • H donors: 0 H acceptors: 2 LogP: 3.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc2c1C(=O)c1c(C2=O)cccc1OC)C[N+]12CN3CN(C2)CN(C1)C3.[Cl-]
  • InChi: 1S/C23H25N4O4.ClH/c1-30-18-5-3-4-16-20(18)23(29)21-17(22(16)28)6-15(7-19(21)31-2)8-27-12-24-9-25(13-27)11-26(10-24)14-27;/h3-7H,8-14H2,1-2H3;1H/q+1;/p-1
  • InChiKey: LFYOJQBRBLQPFK-UHFFFAOYSA-M  

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 granulosus potassium voltage gated channel subfamily H 0.0043 0.0166 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0008 0.043
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0184 1
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0026 0.1145
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0026 0.1145
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0008 0.043
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0026 0.1145
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0153 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0008 0.043
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.2173 1 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0008 0.043
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0008 0.043
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0026 0.1145
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0008 0.043
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.2173 1 1
Loa Loa (eye worm) hypothetical protein 0.2173 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0184 1
Toxoplasma gondii hypothetical protein 0.2173 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0026 0.1414
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0166 0.0158
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0166 1
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0026 0.1145
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0166 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.014 0.0132
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0026 0.1414
Loa Loa (eye worm) hypothetical protein 0.0012 0.0026 0.0018

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 76.71 % Inhibition of AChE in rat cortex using acetylthiocholine iodide as substrate at 100 ug/ml preincubated with enzyme for 10 mins prior to substrate addition by Ellman's colorimetric method ChEMBL. 23380475

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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