Detailed information for compound 1949464

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 610.966 | Formula: C17H17Br4N5
  • H donors: 1 H acceptors: 2 LogP: 5.57 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1nccn1CC1CCCN(C1)c1[nH]c2c(n1)c(Br)c(c(c2Br)Br)Br
  • InChi: 1S/C17H17Br4N5/c1-9-22-4-6-25(9)7-10-3-2-5-26(8-10)17-23-15-13(20)11(18)12(19)14(21)16(15)24-17/h4,6,10H,2-3,5,7-8H2,1H3,(H,23,24)
  • InChiKey: CXTIWLCOTVFCBI-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 Pim-1 proto-oncogene, serine/threonine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/PIM protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Echinococcus granulosus proto oncogene serine:threonine protein kinase Get druggable targets OG5_134863 All targets in OG5_134863
Brugia malayi Serine/threonine-protein kinase Pim-3 Get druggable targets OG5_134863 All targets in OG5_134863
Loa Loa (eye worm) CAMK/PIM protein kinase 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
Schistosoma japonicum ko:K04702 proto-oncogene serine/threonine-protein kinase Pim-1, putative Get druggable targets OG5_134863 All targets in OG5_134863
Brugia malayi Protein kinase domain containing protein 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
Schistosoma mansoni serine/threonine protein kinase 0.0192 0.2193 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0656 1 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0192 0.2193 1
Brugia malayi Protein kinase domain containing protein 0.0192 0.2193 0.2193
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0192 0.2193 0.2193
Loa Loa (eye worm) matrixin family protein 0.0106 0.0738 0.0157
Brugia malayi Matrixin family protein 0.0106 0.0738 0.0738
Onchocerca volvulus Matrix metalloproteinase homolog 0.0097 0.059 0.2693
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0192 0.2193 0.1703
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.032 0.4341 0.5
Onchocerca volvulus Matrilysin homolog 0.0097 0.059 0.2693
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0192 0.2193 0.1703
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0192 0.2193 1
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0192 0.2193 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 61.36 nM BindingDB_Patents: Luminometric Kinase Assay. Kinase assay was performed using luminescent Kinase-Glo (Promega) system. The Kinase-Glo Luminescent Kinase Assay Platform provides a homogeneous, high-throughput screening method for measuring kinase activity by quantifying the amount of ATP remaining in solution following a kinase reaction. 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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