Detailed information for compound 2108829

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.122 | Formula: C14H16N4O3
  • H donors: 3 H acceptors: 3 LogP: 0.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 0
  • SMILES: CNc1ccccc1C(=O)NCCn1ccc(=O)[nH]c1=O
  • InChi: InChI=1S/C14H16N4O3/c1-15-11-5-3-2-4-10(11)13(20)16-7-9-18-8-6-12(19)17-14(18)21/h2-6,8,15H,7,9H2,1H3,(H,16,20)(H,17,19,21)
  • InChiKey: KBGZUKXZFDPDRE-UHFFFAOYSA-N  


Substructure search Similarity search

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 cereblon References
Magnetospirillum gryphiswaldense Cereblon isoform 4 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_130671 All targets in OG5_130671
Brugia malayi hypothetical protein Get druggable targets OG5_130671 All targets in OG5_130671
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130671 All targets in OG5_130671
Echinococcus multilocularis protein cereblon Get druggable targets OG5_130671 All targets in OG5_130671
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130671 All targets in OG5_130671
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_130671 All targets in OG5_130671
Echinococcus granulosus protein cereblon Get druggable targets OG5_130671 All targets in OG5_130671
Onchocerca volvulus Protein cereblon homolog Get druggable targets OG5_130671 All targets in OG5_130671
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans S-adenosyl-L-methionine-dependentmethyltransferase Cereblon isoform 4   124 aa 111 aa 26.1 %
Onchocerca volvulus Cereblon isoform 4   124 aa 105 aa 21.0 %
Leishmania major glutamate dehydrogenase, putative Cereblon isoform 4   124 aa 105 aa 29.5 %
Onchocerca volvulus DnaJ subfamily B member 9 homolog Cereblon isoform 4   124 aa 104 aa 34.6 %
Leishmania infantum glutamate dehydrogenase, putative Cereblon isoform 4   124 aa 105 aa 29.5 %
Leishmania mexicana glutamate dehydrogenase, putative Cereblon isoform 4   124 aa 105 aa 29.5 %
Onchocerca volvulus Neurogenic locus notch homolog Cereblon isoform 4   124 aa 107 aa 29.9 %
Leishmania donovani glutamate dehydrogenase, putative Cereblon isoform 4   124 aa 105 aa 29.5 %
Brugia malayi hypothetical protein Cereblon isoform 4   124 aa 126 aa 32.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus protein cereblon 0.0486 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0486 0 0.5
Schistosoma mansoni hypothetical protein 0.0486 0 0.5
Echinococcus multilocularis protein cereblon 0.0486 0 0.5
Onchocerca volvulus Protein cereblon homolog 0.049 0.4771 0.5
Loa Loa (eye worm) hypothetical protein 0.0495 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 3.3 uM Binding affinity to wild type Magnetospirillum gryphiswaldense cereblon isoform 4 by FRET assay ChEMBL. 26730808
Kd (binding) = 7.9 uM Binding affinity to human CRBN (delta 1 to 315) by FRET assay ChEMBL. 26730808

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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