Detailed information for compound 1065095

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.791 | Formula: C19H14ClFN4O2
  • H donors: 0 H acceptors: 3 LogP: 4.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1n1ncc(c1C)c1nnc(o1)c1ccc(cc1)F)Cl
  • InChi: 1S/C19H14ClFN4O2/c1-11-15(10-22-25(11)16-9-13(20)5-8-17(16)26-2)19-24-23-18(27-19)12-3-6-14(21)7-4-12/h3-10H,1-2H3
  • InChiKey: DCEGAIJQMQYOCV-UHFFFAOYSA-N  


Substructure search Similarity search

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
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0809 0.5
Brugia malayi RNA binding protein 0.0067 0.4614 0.4614
Loa Loa (eye worm) hypothetical protein 0.0033 0.1558 0.0815
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1558 0.1558
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0809 0.5
Echinococcus granulosus tar DNA binding protein 0.0067 0.4614 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0809 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4614 0.8686
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.8108 0.8108
Loa Loa (eye worm) hypothetical protein 0.0106 0.8108 0.7942
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.5077 0.5077
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4614 0.8686
Loa Loa (eye worm) transcription factor SMAD2 0.0126 1 1
Loa Loa (eye worm) RNA binding protein 0.0067 0.4614 0.414
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0809 0.5
Echinococcus multilocularis tar DNA binding protein 0.0067 0.4614 1
Brugia malayi TAR-binding protein 0.0067 0.4614 0.4614
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0809 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.8108 0.7942
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.8108 0.8108
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4614 0.8686
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 1 1
Loa Loa (eye worm) TAR-binding protein 0.0067 0.4614 0.414
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4614 0.8686
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0809 0.5
Brugia malayi hypothetical protein 0.0025 0.0809 0.0809
Schistosoma mansoni hypothetical protein 0.0072 0.5077 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.4614 0.4614
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1558 0.0815
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1558 0.1558
Leishmania major hypothetical protein, conserved 0.0025 0.0809 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4614 0.8686
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.4614 0.414
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0809 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.5077 0.4643

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 21 mm Antibacterial activity against Escherichia coli ATCC 8739 at 100 ug/ml after 24 hrs by agar cup plate method ChEMBL. 19640616
MIC (functional) = 29.6 ug ml-1 Antibacterial activity against Escherichia coli ATCC 8739 after 24 hrs by microtitration method ChEMBL. 19640616

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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