Detailed information for compound 827606

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.906 | Formula: C22H17ClFN3OS
  • H donors: 0 H acceptors: 2 LogP: 5.66 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1CCN(CC1)C(=O)c1cc2c(s1)c1ccccc1nc2Cl
  • InChi: 1S/C22H17ClFN3OS/c23-21-17-13-19(29-20(17)16-3-1-2-4-18(16)25-21)22(28)27-11-9-26(10-12-27)15-7-5-14(24)6-8-15/h1-8,13H,9-12H2
  • InChiKey: IGXBZYGCHPCDQU-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
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0187 0.1715 0.286
Brugia malayi Glutamate receptor 1 precursor 0.0169 0.1515 0.146
Giardia lamblia Kinase, STE STE20 0.0235 0.2263 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0153 0.1333 0.2198
Schistosoma mansoni glutamate receptor NMDA 0.036 0.3693 0.6259
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0911 1 1
Leishmania major C-8 sterol isomerase-like protein 0.0911 1 1
Echinococcus multilocularis glutamate receptor 2 0.0187 0.1715 0.286
Schistosoma mansoni hypothetical protein 0.0063 0.0295 0.0326
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0064 0.0064
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0187 0.1715 0.286
Schistosoma mansoni protein kinase 0.0235 0.2263 0.3762
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.0063 0.0295 0.0401
Schistosoma mansoni glutamate receptor kainate 0.0169 0.1515 0.2455
Brugia malayi Dual specificity mitogen-activated protein kinase kinase mek-2 0.0235 0.2263 0.2213
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.036 0.3693 0.6288
Schistosoma mansoni glutamate receptor kainate 0.0169 0.1515 0.2455
Schistosoma mansoni glutamate receptor NMDA 0.0277 0.2752 0.4616
Echinococcus multilocularis nmda type glutamate receptor 0.0153 0.1333 0.2198
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0187 0.1715 0.286
Trichomonas vaginalis STE family protein kinase 0.0235 0.2263 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0547 0.5836 0.5
Trypanosoma brucei C-8 sterol isomerase, putative 0.0911 1 1
Echinococcus granulosus glutamate receptor 2 0.0187 0.1715 0.286
Echinococcus granulosus glutamate NMDA receptor subunit 0.036 0.3693 0.6288
Echinococcus granulosus glutamate receptor 2 0.0124 0.0999 0.1619
Echinococcus granulosus vesicular acetylcholine transporter 0.0547 0.5836 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0187 0.1715 0.286
Schistosoma mansoni ATP-binding cassette transporter 0.0169 0.1515 0.2455
Loa Loa (eye worm) hypothetical protein 0.0911 1 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0547 0.5836 0.5809
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0187 0.1715 0.286
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0187 0.1715 0.286
Echinococcus multilocularis vesicular acetylcholine transporter 0.0547 0.5836 1
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.0063 0.0295 0.0401
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0547 0.5836 0.5836
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0063 0.0295 0.0401
Echinococcus granulosus nmda type glutamate receptor 0.0108 0.0817 0.1304
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0187 0.1715 0.286
Echinococcus multilocularis nmda type glutamate receptor 0.0108 0.0817 0.1304
Echinococcus granulosus glutamate receptor NMDA 0.0091 0.0616 0.0957
Echinococcus multilocularis glutamate receptor 2 0.0169 0.1515 0.2513
Echinococcus multilocularis glutamate receptor NMDA 0.0091 0.0616 0.0957
Loa Loa (eye worm) hypothetical protein 0.0466 0.4905 0.4905
Echinococcus multilocularis NMDA receptor 0.0063 0.0295 0.0401
Loa Loa (eye worm) glutamate receptor 2 0.0169 0.1515 0.1515
Echinococcus granulosus glutamate receptor subunit protein glur 0.0063 0.0295 0.0401
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.0063 0.0295 0.0401
Schistosoma mansoni glutamate receptor kainate 0.0169 0.1515 0.2455
Loa Loa (eye worm) STE/STE7/MEK1 protein kinase 0.0235 0.2263 0.2263
Schistosoma mansoni glutamate receptor AMPA 0.0169 0.1515 0.2455
Echinococcus granulosus glutamate receptor ionotropic kainate 0.0063 0.0295 0.0401
Schistosoma mansoni glutamate receptor AMPA 0.0169 0.1515 0.2455
Trichomonas vaginalis STE family protein kinase 0.0235 0.2263 1
Brugia malayi Glutamate receptor 2 precursor 0.0169 0.1515 0.146
Loa Loa (eye worm) glutamate receptor 1 0.0169 0.1515 0.1515
Schistosoma mansoni vesicular acetylcholine transporter 0.0547 0.5836 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0063 0.0295 0.0401
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0187 0.1715 0.286
Trichomonas vaginalis STE family protein kinase 0.0235 0.2263 1
Echinococcus granulosus dual specificity mitogen activated protein 0.0235 0.2263 0.381
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.0063 0.0295 0.0401
Echinococcus multilocularis dual specificity mitogen activated protein 0.0235 0.2263 0.381
Echinococcus multilocularis glutamate receptor 2 0.0124 0.0999 0.1619

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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