Detailed information for compound 2170563

Basic information

Technical information
  • TDR Targets ID: 2170563
  • Name: 3-[[2-oxo-2-((2E)-2-(1-pyridin-4-ylethylidene )hydrazinyl)ethyl]amino]-N-phenylbenzamide
  • MW: 387.17 | Formula: C22H21N5O2
  • H donors: 3 H acceptors: 3 LogP: 2.87 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 0
  • SMILES: O=C(N/N=C(/c1ccncc1)\C)CNc1cccc(c1)C(=O)Nc1ccccc1
  • InChi: InChI=1S/C22H21N5O2/c1-16(17-10-12-23-13-11-17)26-27-21(28)15-24-20-9-5-6-18(14-20)22(29)25-19-7-3-2-4-8-19/h2-14,24H,15H2,1H3,(H,25,29)(H,27,28)/b26-16+
  • InChiKey: BXMIHYGPXLIJBT-WGOQTCKBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[2-oxo-2-[(N'E)-N'-[1-(4-pyridyl)ethylidene]hydrazino]ethyl]amino]-N-phenyl-benzamide
  • 3-[[2-oxo-2-[(N'E)-N'-[1-(4-pyridyl)ethylidene]hydrazino]ethyl]amino]-N-phenylbenzamide
  • 3-[[2-keto-2-[(N'E)-N'-[1-(4-pyridyl)ethylidene]hydrazino]ethyl]amino]-N-phenyl-benzamide
  • 3-[[2-oxo-2-((2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl)ethyl]amino]-N-phenyl-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens adrenergic, beta, receptor kinase 2 No references
Homo sapiens G protein-coupled receptor kinase 5 No references
Homo sapiens adrenergic, beta, receptor kinase 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus beta-adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Echinococcus granulosus G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Echinococcus multilocularis G protein coupled receptor kinase 6 Get druggable targets OG5_130334 All targets in OG5_130334
Schistosoma japonicum ko:K00924 G-protein-coupled Receptor Kinase [EC:2.7.1.-], putative Get druggable targets OG5_131467 All targets in OG5_131467
Loa Loa (eye worm) AGC/GRK/GRK protein kinase Get druggable targets OG5_130334 All targets in OG5_130334
Echinococcus granulosus [G-protein-coupledreceptor] kinase Get druggable targets OG5_130334 All targets in OG5_130334
Schistosoma japonicum G protein-coupled receptor kinase 1, putative Get druggable targets OG5_130334 All targets in OG5_130334
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Loa Loa (eye worm) AGC/GRK/GRK protein kinase Get druggable targets OG5_130334 All targets in OG5_130334
Echinococcus multilocularis G protein coupled receptor kinase 1 Get druggable targets OG5_131467 All targets in OG5_131467
Loa Loa (eye worm) AGC/GRK/BARK protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Schistosoma japonicum ko:K08291 G protein-coupled receptor kinase [EC2.7.11.16], putative Get druggable targets OG5_130334 All targets in OG5_130334
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131467 All targets in OG5_131467
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_130334 All targets in OG5_130334
Schistosoma japonicum G protein-coupled receptor kinase 1, putative Get druggable targets OG5_131467 All targets in OG5_131467
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative Get druggable targets OG5_130334 All targets in OG5_130334
Loa Loa (eye worm) G protein-coupled receptor kinase 1 Get druggable targets OG5_130334 All targets in OG5_130334
Echinococcus multilocularis beta adrenergic receptor kinase Get druggable targets OG5_131467 All targets in OG5_131467
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_131467 All targets in OG5_131467
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative Get druggable targets OG5_130334 All targets in OG5_130334
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) AGC/GRK/BARK protein kinase 0.024 1 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0178 0.387 0.387
Echinococcus multilocularis beta adrenergic receptor kinase 0.024 1 1
Echinococcus granulosus G protein coupled receptor kinase 1 0.0201 0.613 0.613
Schistosoma mansoni serine/threonine protein kinase 0.024 1 1
Schistosoma mansoni serine/threonine protein kinase 0.024 1 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0178 0.387 1
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0201 0.613 0.613

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of GRK2 in porcine trabecular meshwork cells assessed as F-actin depolymerization at 50 uM after 20 mins by Alexa-fluor 488-labelled phalloidin/DAPI staining assay relative to control ChEMBL. No reference
Ki (binding) = 100 nM Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay ChEMBL. No reference
Ki (binding) = 100 nM Inhibition of GRK3 (unknown origin) after 90 to 120 mins by Kinase-Glo assay ChEMBL. No reference
Ki (binding) > 10000 nM Inhibition of GRK5 (unknown origin) after 90 to 120 mins by Kinase-Glo assay 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.

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