Detailed information for compound 1053527

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.4 | Formula: C21H20FN3O3
  • H donors: 2 H acceptors: 2 LogP: 4.18 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)Oc1nccc(c1)/C(=N/O)/NCc1ccccc1F
  • InChi: 1S/C21H20FN3O3/c1-2-27-17-7-9-18(10-8-17)28-20-13-15(11-12-23-20)21(25-26)24-14-16-5-3-4-6-19(16)22/h3-13,26H,2,14H2,1H3,(H,24,25)
  • InChiKey: FTLSROCMJNLGTG-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 voltage-gated potassium channel 0.0045 0.0255 0.0505
Schistosoma mansoni glutamate receptor AMPA 0.0103 0.2516 0.4978
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0255 0.0505
Loa Loa (eye worm) hypothetical protein 0.0173 0.5248 0.5556
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0255 0.0255
Schistosoma mansoni glutamate receptor kainate 0.0103 0.2516 0.4978
Echinococcus granulosus glutamate receptor 2 0.0257 0.8522 0.8522
Schistosoma mansoni glutamate receptor kainate 0.0103 0.2516 0.4978
Brugia malayi Glutamate receptor 2 precursor 0.0276 0.9242 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0255 0.0255
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0122 0.3274 0.3274
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0122 0.3274 0.3274
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144 0.4111 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0154 0.4505 0.4505
Echinococcus multilocularis glutamate receptor 2 0.0295 1 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0295 1 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.5248 0.5556
Schistosoma mansoni voltage-gated potassium channel 0.0168 0.5054 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0211 0.6726 0.6726
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0103 0.2516 0.2516
Echinococcus granulosus glutamate receptor 1 0.0173 0.5248 0.5248
Brugia malayi Glutamate receptor 1 precursor 0.0276 0.9242 1
Schistosoma mansoni glutamate receptor kainate 0.0103 0.2516 0.4978
Loa Loa (eye worm) hypothetical protein 0.0133 0.3715 0.3849
Echinococcus multilocularis glutamate receptor 2 0.0257 0.8522 0.8522
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0154 0.4505 0.4505
Echinococcus granulosus voltage gated potassium channel 0.0045 0.0255 0.0255
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0122 0.3274 0.3274
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0144 0.4111 0.5
Echinococcus multilocularis glutamate receptor 4 0.0173 0.5248 0.5248
Echinococcus multilocularis voltage gated potassium channel 0.0045 0.0255 0.0255
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0154 0.4505 0.4728
Schistosoma mansoni glutamate receptor NMDA 0.0122 0.3274 0.6477
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0211 0.6726 0.6726
Schistosoma mansoni voltage-gated potassium channel 0.0168 0.5054 1
Echinococcus granulosus glutamate receptor 4 0.0173 0.5248 0.5248
Schistosoma mansoni ATP-binding cassette transporter 0.0103 0.2516 0.4978
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0122 0.3274 0.3274
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0154 0.4505 0.4728
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0295 1 1
Loa Loa (eye worm) glutamate receptor 1 0.0276 0.9242 1
Echinococcus granulosus glutamate NMDA receptor subunit 0.0103 0.2516 0.2516
Schistosoma mansoni glutamate receptor NMDA 0.0103 0.2516 0.4978
Schistosoma mansoni glutamate receptor AMPA 0.0103 0.2516 0.4978
Echinococcus multilocularis glutamate receptor 2 0.0276 0.9242 0.9242
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0122 0.3274 0.3274
Loa Loa (eye worm) hypothetical protein 0.0173 0.5248 0.5556
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0122 0.3274 0.3274
Loa Loa (eye worm) glutamate receptor 2 0.0103 0.2516 0.2515

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -8 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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