Detailed information for compound 410771

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.632 | Formula: C15H11Cl3N4O2
  • H donors: 3 H acceptors: 2 LogP: 3.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cc(N)c(c(c1)Cn1nc([nH]c1=O)c1ccc(c(c1)Cl)Cl)Cl
  • InChi: 1S/C15H11Cl3N4O2/c16-10-2-1-7(4-11(10)17)14-20-15(24)22(21-14)6-8-3-9(23)5-12(19)13(8)18/h1-5,23H,6,19H2,(H,20,21,24)
  • InChiKey: QTNIMNXWSLNGHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0356 0.1714 0.5
Trichomonas vaginalis glutaminase, putative 0.0269 0.1291 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0014 0.0112
Trypanosoma brucei C-8 sterol isomerase, putative 0.0356 0.1714 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0008
Schistosoma mansoni cpg binding protein 0.0028 0.0121 0.0118
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0017 0.0014
Leishmania major C-8 sterol isomerase-like protein 0.0356 0.1714 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0014 0.0112
Brugia malayi CXXC zinc finger family protein 0.0028 0.0121 0.0096
Echinococcus granulosus dnaJ subfamily B 0.0402 0.194 0.1926
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2059 1 1
Echinococcus granulosus vesicular acetylcholine transporter 0.2059 1 1
Loa Loa (eye worm) hypothetical protein 0.0356 0.1714 0.1692
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0014 0.0112
Schistosoma mansoni cpg binding protein 0.003 0.0129 0.0126
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0014 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0356 0.1714 0.1693
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Loa Loa (eye worm) glutaminase 2 0.0269 0.1291 0.1269
Echinococcus multilocularis cpg binding protein 0.003 0.0129 0.0111
Trichomonas vaginalis helicase, putative 0.0006 0.0014 0.0112
Echinococcus granulosus cpg binding protein 0.003 0.0129 0.0111
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Schistosoma mansoni glutaminase 0.0269 0.1291 0.1288
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2059 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0121 0.0095
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0014 0.0112
Echinococcus multilocularis vesicular acetylcholine transporter 0.2059 1 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0868 0.0844
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0275 0.0272
Schistosoma mansoni hypothetical protein 0.0402 0.194 0.1938
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0014 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.194 0.1926
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0008
Brugia malayi glutaminase DH11.1 0.0269 0.1291 0.1269
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0014 0.0112
Schistosoma mansoni cpg binding protein 0.003 0.0129 0.0126
Mycobacterium ulcerans glutaminase 0.0269 0.1291 0.5
Loa Loa (eye worm) glutaminase 0.0269 0.1291 0.1269
Schistosoma mansoni vesicular acetylcholine transporter 0.2059 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0014 0.0112
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0244 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0014 0.0112

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 127 % Opening of cloned human maxi-K ion channel expressed in Xenopus laevis oocytes measured as outward current at 10 uM relative to control by voltage clamp method ChEMBL. 17266205
Activity (binding) = 127 % Opening of cloned human maxi-K ion channel expressed in Xenopus laevis oocytes measured as outward current at 10 uM relative to control by voltage clamp method ChEMBL. 17266205
Solubility 0 Solubility in MBS buffer at 20 uM ChEMBL. 17266205

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

1 literature reference was collected for this gene.

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