Detailed information for compound 1826460

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 374.393 | Formula: C21H18N4O3
  • H donors: 3 H acceptors: 4 LogP: 3.52 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1[nH]c2c(n1)c(NC)c(cn2)c1ccc(cc1)C(=O)O
  • InChi: 1S/C21H18N4O3/c1-22-17-16(12-3-5-14(6-4-12)21(26)27)11-23-20-18(17)24-19(25-20)13-7-9-15(28-2)10-8-13/h3-11H,1-2H3,(H,26,27)(H2,22,23,24,25)
  • InChiKey: GHLLIWFJENEFSB-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 TANK-binding kinase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_132247 All targets in OG5_132247
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_132247 All targets in OG5_132247
Loa Loa (eye worm) IKK protein kinase Get druggable targets OG5_132247 All targets in OG5_132247

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 glutaminyl peptide cyclotransferase 0.2586 1 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0411 0 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0411 0 0.5
Toxoplasma gondii peptidase, M28 family protein 0.0411 0 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.2586 1 1
Onchocerca volvulus 0.0556 0.0666 0.0666
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.2586 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0411 0 0.5
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0411 0 0.5
Leishmania major glutaminyl cyclase, putative 0.0411 0 0.5
Trypanosoma brucei glutaminyl cyclase, putative 0.0411 0 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0411 0 0.5
Leishmania major hypothetical protein, conserved 0.0411 0 0.5
Toxoplasma gondii hypothetical protein 0.0411 0 0.5
Mycobacterium tuberculosis Conserved protein 0.0411 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0411 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0411 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0411 0 0.5
Loa Loa (eye worm) IKK protein kinase 0.0556 0.0666 0.0666
Loa Loa (eye worm) hypothetical protein 0.2586 1 1
Onchocerca volvulus Glutaminyl cyclase homolog 0.2586 1 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0411 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0556 0.0666 0.0666

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.8 uM Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay ChEMBL. 24462666

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.

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