Detailed information for compound 1718702

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 345.318 | Formula: C18H14F3N3O
  • H donors: 1 H acceptors: 2 LogP: 3.88 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cn1)c1cc(cnc1N)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C18H14F3N3O/c1-25-16-7-4-12(9-23-16)15-8-13(10-24-17(15)22)11-2-5-14(6-3-11)18(19,20)21/h2-10H,1H3,(H2,22,24)
  • InChiKey: SDZJFEPMOQELNW-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 ectoderm neural cortex protein 1 0.00010709 0.000208378 0.000208821
Echinococcus multilocularis ectoderm neural cortex protein 1 0.00010709 0.000208378 0.000208378
Schistosoma mansoni hypothetical protein 0.00010709 0.000208378 0.000208378
Echinococcus multilocularis kelch ECH associated protein 1 0.0460211 0.997881 0.997881
Entamoeba histolytica hypothetical protein 0.0165905 0.358378 0.5
Brugia malayi BTB/POZ domain containing protein 0.00010709 0.000208378 0.000581449
Echinococcus granulosus kelch protein 3 0.00010709 0.000208378 0.000208821
Entamoeba histolytica hypothetical protein 0.0165905 0.358378 0.5
Echinococcus granulosus kelch protein 18 0.00010709 0.000208378 0.000208821
Loa Loa (eye worm) kelch domain-containing protein family protein 0.00010709 0.000208378 1
Echinococcus granulosus kelch protein 10 0.000106946 0.000205258 0.000205694
Schistosoma mansoni hypothetical protein 0.00010709 0.000208378 0.000208378
Brugia malayi Kelch-like protein X 0.00010709 0.000208378 0.000581449
Entamoeba histolytica hypothetical protein 0.0165905 0.358378 0.5
Onchocerca volvulus 0.0000974998 0 0.5
Echinococcus multilocularis kelch protein 12 0.00010709 0.000208378 0.000208378
Echinococcus granulosus kelch ECH associated protein 1 like 0.0460211 0.997881 1
Echinococcus multilocularis kelch protein 10 0.000106946 0.000205258 0.000205258
Loa Loa (eye worm) ring canal kelch protein 0.00010709 0.000208378 1
Entamoeba histolytica hypothetical protein 0.0165905 0.358378 0.5
Echinococcus multilocularis kelch protein 18 0.00010709 0.000208378 0.000208378
Schistosoma mansoni hypothetical protein 0.000106946 0.000205258 0.000205258
Brugia malayi Kelch motif family protein 0.00010709 0.000208378 0.000581449
Schistosoma mansoni hypothetical protein 0.000106946 0.000205258 0.000205258
Schistosoma mansoni hypothetical protein 0.0461187 1 1
Schistosoma mansoni hypothetical protein 0.000106946 0.000205258 0.000205258
Echinococcus multilocularis kelch ECH associated protein 1 0.0460211 0.997881 0.997881
Echinococcus granulosus kelch protein 12 0.00010709 0.000208378 0.000208821
Brugia malayi Kelch motif family protein 0.00010709 0.000208378 0.000581449
Echinococcus multilocularis kelch protein 3 0.00010709 0.000208378 0.000208378
Onchocerca volvulus 0.0000974998 0 0.5
Schistosoma mansoni hypothetical protein 0.00010709 0.000208378 0.000208378
Loa Loa (eye worm) Klhl5 protein 0.00010709 0.000208378 1
Onchocerca volvulus 0.0000974998 0 0.5
Schistosoma mansoni hypothetical protein 0.0165905 0.358378 0.358378
Echinococcus multilocularis Kelch repeat type 1 0.0461187 1 1
Echinococcus granulosus kelch ECH associated protein 1 like 0.0460211 0.997881 1
Echinococcus granulosus kelch ECH associated protein 1 0.0460211 0.997881 1
Schistosoma mansoni transcription factor LCR-F1 0.0165905 0.358378 0.358378
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0165905 0.358378 0.359139
Brugia malayi hypothetical protein 0.0165905 0.358378 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0165905 0.358378 0.358378
Schistosoma mansoni hypothetical protein 0.00010709 0.000208378 0.000208378
Onchocerca volvulus 0.0000974998 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 10043 nM Antimalarial activity against multidrug-sensitive Plasmodium falciparum NF54 ChEMBL. 23189922

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 23189922

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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