Detailed information for compound 1041219

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.284 | Formula: C19H18Cl2FN5O
  • H donors: 2 H acceptors: 2 LogP: 2.98 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc(cc1OC(c1c(Cl)ccc(c1Cl)F)C)c1cnn(c1)C1CNC1
  • InChi: 1S/C19H18Cl2FN5O/c1-10(17-14(20)2-3-15(22)18(17)21)28-16-4-11(5-25-19(16)23)12-6-26-27(9-12)13-7-24-8-13/h2-6,9-10,13,24H,7-8H2,1H3,(H2,23,25)
  • InChiKey: NUGLKXMTNVCMMF-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 MET proto-oncogene, receptor tyrosine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.328 0.3241
Schistosoma mansoni plexin 0.0012 0.0834 0.0782
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.328 0.3241
Loa Loa (eye worm) hypothetical protein 0.0009 0.0443 0.0388
Loa Loa (eye worm) hypothetical protein 0.0009 0.0443 0.0388
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.328 0.3241
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 1 1
Brugia malayi Sema domain containing protein 0.0009 0.0443 0.0388
Echinococcus multilocularis plexin a4 0.0025 0.2265 0.2221
Schistosoma mansoni hypothetical protein 0.0009 0.0443 0.0388
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0034 0.328 0.3241
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.328 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 1 1
Echinococcus granulosus semaphorin 1A 0.0009 0.0443 0.0388
Loa Loa (eye worm) plexin A 0.0025 0.2265 0.2221
Trypanosoma brucei polo-like protein kinase 0.0092 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0443 0.0388
Brugia malayi plexin A 0.0025 0.2265 0.2221
Schistosoma mansoni hypothetical protein 0.0009 0.0443 0.0388
Brugia malayi hypothetical protein 0.0009 0.0443 0.0388
Schistosoma mansoni serine/threonine protein kinase 0.0092 1 1
Brugia malayi Sema domain containing protein 0.0009 0.0443 0.0388
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Echinococcus multilocularis hypothetical protein 0.0009 0.0443 0.0388
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 1 1
Schistosoma mansoni semaphorin 5-related 0.0009 0.0443 0.0388
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0443 0.0388
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 1 1
Schistosoma mansoni hypothetical protein 0.0012 0.0834 0.0782
Brugia malayi Augmenter of liver regeneration 0.0034 0.328 0.3241
Echinococcus granulosus semaphorin 5B 0.0009 0.0443 0.0388
Giardia lamblia Kinase, PLK 0.0092 1 0.5
Onchocerca volvulus 0.0009 0.0443 0.0388
Loa Loa (eye worm) hypothetical protein 0.0021 0.1829 0.1782
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.328 0.3241
Loa Loa (eye worm) hypothetical protein 0.0009 0.0443 0.0388
Trichomonas vaginalis CAMK family protein kinase 0.0092 1 1
Onchocerca volvulus 0.0021 0.1829 0.1782
Schistosoma mansoni kinase 0.0047 0.4811 0.4781
Echinococcus multilocularis semaphorin 5B 0.0009 0.0443 0.0388
Loa Loa (eye worm) hypothetical protein 0.0009 0.0443 0.0388
Loa Loa (eye worm) sema domain-containing protein 0.0009 0.0443 0.0388
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 1 1
Brugia malayi Plexin repeat family protein 0.0021 0.1829 0.1782
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0034 0.328 0.3241
Brugia malayi hypothetical protein 0.0009 0.0443 0.0388
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.328 1
Echinococcus granulosus plexin a4 0.0025 0.2265 0.2221
Schistosoma mansoni plexin 0.0021 0.1829 0.1782
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0834 0.0782
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.328 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.328 1
Loa Loa (eye worm) sema domain-containing protein 0.0009 0.0443 0.0388
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.328 0.3241

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0587 uM Inhibition of human recombinant c-MET kinase expressed in A549 cells assessed as inhibition of HGF-induced autophosphorylation by ELISA method ChEMBL. 21812414
Ki (binding) = 0.0352 uM Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay ChEMBL. 21812414

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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