Detailed information for compound 441030

Basic information

Technical information
  • TDR Targets ID: 441030
  • Name: 6-(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H -pyridine-3-carbonitrile
  • MW: 367.196 | Formula: C18H11BrN2O2
  • H donors: 2 H acceptors: 3 LogP: 3.28 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(=O)[nH]c(cc1c1ccccc1)c1cc(Br)ccc1O
  • InChi: 1S/C18H11BrN2O2/c19-12-6-7-17(22)14(8-12)16-9-13(11-4-2-1-3-5-11)15(10-20)18(23)21-16/h1-9,22H,(H,21,23)
  • InChiKey: SVSYJTYGPLVUOZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-(5-bromo-2-hydroxy-phenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
  • 6-(5-bromo-2-hydroxy-phenyl)-2-keto-4-phenyl-1H-pyridine-3-carbonitrile
  • VRV

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Pim-1 proto-oncogene, serine/threonine kinase Starlite/ChEMBL References
Homo sapiens baculoviral IAP repeat containing 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Protein kinase domain containing protein Get druggable targets OG5_134863 All targets in OG5_134863
Onchocerca volvulus Deterin homolog Get druggable targets OG5_132424 All targets in OG5_132424
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132424 All targets in OG5_132424
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma japonicum ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative Get druggable targets OG5_134863 All targets in OG5_134863
Onchocerca volvulus Serine\/threonine protein kinase homolog Get druggable targets OG5_134863 All targets in OG5_134863
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus multilocularis baculoviral IAP repeat containing protein Get druggable targets OG5_132424 All targets in OG5_132424
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus granulosus baculoviral IAP repeat containing protein Get druggable targets OG5_132424 All targets in OG5_132424
Brugia malayi Inhibitor of Apoptosis domain containing protein Get druggable targets OG5_132424 All targets in OG5_132424
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863

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 baculoviral IAP repeat containing protein 0.0357 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0192 0.364 1
Onchocerca volvulus Deterin homolog 0.0357 1 1
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0192 0.364 0.364
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0192 0.364 0.364
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0192 0.364 0.364
Loa Loa (eye worm) hypothetical protein 0.0357 1 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0192 0.364 0.364
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0192 0.364 0.364
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0192 0.364 0.364
Brugia malayi Protein kinase domain containing protein 0.0192 0.364 0.364
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0357 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 nM Inhibition of Pim1 after 15 mins by scintillation counting-based competition assay in presence of 25 uM [gamma33P]ATP ChEMBL. 19256503
IC50 (binding) = 50 nM Inhibition of Pim1 assessed as [32P] incorporation preincubated for 15 mins before ATP substrate addition by coupled spectrophotometric assay ChEMBL. 19414255
IC50 (binding) = 50 nmol Inhibition of PIM1 ChEMBL. 19836860
IC50 (binding) = 0.05 uM Inhibition of Pim1 kinase ChEMBL. 17251021
IC50 (binding) = 0.05 uM Inhibition of Pim1 kinase ChEMBL. 17251021
IC50 (binding) = 0.05 uM Competitive inhibition of PIM1 in presence of ATP ChEMBL. 22924342
IC50 (binding) > 20 uM Inhibition of Pim2 kinase ChEMBL. 17251021
IC50 (binding) > 20 uM Inhibition of MEK1 kinase ChEMBL. 17251021
IC50 (binding) > 20 uM Inhibition of MEK2 kinase ChEMBL. 17251021
IC50 (binding) > 20 uM Inhibition of Pim2 kinase ChEMBL. 17251021
IC50 (binding) > 20 uM Inhibition of MEK1 kinase ChEMBL. 17251021
IC50 (binding) > 20 uM Inhibition of MEK2 kinase ChEMBL. 17251021
Kd (binding) = 5 uM Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins ChEMBL. 17391963
Kd (binding) = 5 uM Binding affinity to human survivin expressed in Escherichia coli BL21 cells after 30 mins ChEMBL. 17391963
Kd (binding) = 5.7 uM Inhibition of survivin ChEMBL. 19836860

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

6 literature references were collected for this gene.

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