Detailed information for compound 1929084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.396 | Formula: C20H17N7
  • H donors: 0 H acceptors: 5 LogP: 1.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)c1n(cnc1c1ccncc1)CCn1nnc(c1)C
  • InChi: 1S/C20H17N7/c1-15-13-27(25-24-15)11-10-26-14-23-19(17-6-8-22-9-7-17)20(26)18-4-2-16(12-21)3-5-18/h2-9,13-14H,10-11H2,1H3
  • InChiKey: NWEAKLPLOYEEQP-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 bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL References
Homo sapiens bromodomain adjacent to zinc finger domain, 2A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570

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
Loa Loa (eye worm) hypothetical protein 0.0096 0.4163 0.3369
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0051 0.0535 0.0679
Brugia malayi Bromodomain containing protein 0.0086 0.3378 0.2673
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0051 0.0535 0.0739
Loa Loa (eye worm) hypothetical protein 0.0086 0.3391 0.2359
Echinococcus granulosus fetal alzheimer antigen falz 0.0051 0.0535 0.0739
Schistosoma mansoni hypothetical protein 0.0046 0.0191 0.0242
Schistosoma mansoni bromodomain containing protein 0.0142 0.7886 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.9228 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.3818 0.2918
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0081 0.2951 0.4076
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0134 0.724 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0134 0.724 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0081 0.2951 0.4076

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4 uM Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay ChEMBL. 25719566
IC50 (binding) = 4.4 uM Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated peptide measured after 30 mins by AlphaScreen assay ChEMBL. 25719566

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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