Detailed information for compound 1699438

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 397.703 | Formula: C15H10ClF6N3O
  • H donors: 0 H acceptors: 2 LogP: 3.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccc(c1Cl)C(F)(F)F)N1CCn2c(C1)nc(c2)C(F)(F)F
  • InChi: 1S/C15H10ClF6N3O/c16-12-8(2-1-3-9(12)14(17,18)19)13(26)25-5-4-24-6-10(15(20,21)22)23-11(24)7-25/h1-3,6H,4-5,7H2
  • InChiKey: UVLLICGVXSEJTH-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2X, ligand-gated ion channel, 7 Starlite/ChEMBL No references

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
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.5829 1
Schistosoma mansoni hypothetical protein 0.0016 0.1544 0.1477
Trichomonas vaginalis helicase, putative 0.0006 0.0379 1
Echinococcus multilocularis p2X purinoceptor 4 0.0082 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0379 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.1544 0.1138
Loa Loa (eye worm) hypothetical protein 0.0034 0.3846 0.615
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0458 0.0382
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.1544 0.1681
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.1544 0.1138
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.6402 0.5
Echinococcus multilocularis cpg binding protein 0.003 0.3378 0.306
Echinococcus granulosus p2X purinoceptor 4 0.0082 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0379 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.3172 0.4856
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Onchocerca volvulus 0.0028 0.3172 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.1544 0.1704
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0379 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Schistosoma mansoni P2X receptor subunit 0.0082 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.722 0.7198
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0379 1
Echinococcus multilocularis p2X purinoceptor 4 0.0082 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.5829 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Schistosoma mansoni P2X receptor subunit 0.0082 1 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.1544 0.1138
Schistosoma mansoni hypothetical protein 0.0034 0.3846 0.3797
Loa Loa (eye worm) hypothetical protein 0.0049 0.5829 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0678 0.0231
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0379 1
Echinococcus granulosus cpg binding protein 0.003 0.3378 0.306
Schistosoma mansoni hypothetical protein 0.0016 0.1544 0.1477
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.1544 0.1138
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0379 1
Echinococcus multilocularis p2X purinoceptor 4 0.0082 1 1
Schistosoma mansoni P2X receptor subunit 0.0082 1 1
Schistosoma mansoni cpg binding protein 0.003 0.3378 0.3325
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0379 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.1544 0.1138
Echinococcus granulosus p2X purinoceptor 4 0.0082 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.3172 0.4842
Schistosoma mansoni cpg binding protein 0.003 0.3378 0.3325
Schistosoma mansoni cpg binding protein 0.0028 0.3172 0.3118
Loa Loa (eye worm) hypothetical protein 0.0016 0.1544 0.1681
Echinococcus granulosus GPCR family 2 0.0016 0.1544 0.1138
Brugia malayi Latrophilin receptor protein 2 0.0016 0.1544 0.1704
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.3846 0.616
Schistosoma mansoni P2X receptor subunit 0.0082 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.5829 1
Schistosoma mansoni hypothetical protein 0.0016 0.1544 0.1477
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0678 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1
Schistosoma mansoni hypothetical protein 0.0016 0.1544 0.1477
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0379 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0379 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.4 SUPPLEMENTARY: Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation. Same assay as CHEMBL1103860 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.