Detailed information for compound 1127404

Basic information

Technical information
  • TDR Targets ID: 1127404
  • Name: N-(2,4-difluorophenyl)-3-[[3-fluoro-4-(1H-pyr rolo[2,3-b]pyridin-4-yloxy)phenyl]amino]pyraz ine-2-carboxamide
  • MW: 476.41 | Formula: C24H15F3N6O2
  • H donors: 3 H acceptors: 4 LogP: 4.6 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)NC(=O)c1nccnc1Nc1ccc(c(c1)F)Oc1ccnc2c1cc[nH]2
  • InChi: 1S/C24H15F3N6O2/c25-13-1-3-18(16(26)11-13)33-24(34)21-23(31-10-9-28-21)32-14-2-4-20(17(27)12-14)35-19-6-8-30-22-15(19)5-7-29-22/h1-12H,(H,29,30)(H,31,32)(H,33,34)
  • InChiKey: MHWOEFYKEQWZSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,4-difluorophenyl)-3-[[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]amino]-2-pyrazinecarboxamide
  • N-(2,4-difluorophenyl)-3-[[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]amino]pyrazinamide

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
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Entamoeba histolytica hypothetical protein 0.0082 0.4287 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0712 1
Onchocerca volvulus 0.0021 0.0213 0.5
Brugia malayi plexin A 0.0025 0.0466 0.0466
Echinococcus multilocularis muscleblind protein 1 0.0168 1 1
Brugia malayi Plexin repeat family protein 0.0021 0.0213 0.0213
Entamoeba histolytica hypothetical protein 0.0082 0.4287 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0082 0.4287 0.4287
Loa Loa (eye worm) plexin A 0.0025 0.0466 0.0466
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2347 0.2347
Brugia malayi jmjC domain containing protein 0.0066 0.3226 0.3226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2347 0.5476
Entamoeba histolytica hypothetical protein 0.0082 0.4287 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0712 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2347 0.2347
Brugia malayi hypothetical protein 0.0082 0.4287 0.4287
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0066 0.3226 0.3226
Echinococcus granulosus lysine specific demethylase 5A 0.0066 0.3226 0.3226
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2347 0.2347
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2347 0.2347
Schistosoma mansoni hypothetical protein 0.0082 0.4287 1
Echinococcus granulosus plexin a4 0.0025 0.0466 0.0466
Schistosoma mansoni plexin 0.0021 0.0213 0.0496
Loa Loa (eye worm) jmjC domain-containing protein 0.0066 0.3226 0.3226
Brugia malayi hypothetical protein 0.0018 0.0044 0.0044
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2347 0.2347
Echinococcus multilocularis plexin a4 0.0025 0.0466 0.0466
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0712 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.2347 0.2347
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0712 1
Entamoeba histolytica hypothetical protein 0.0082 0.4287 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2347 0.5476
Schistosoma mansoni jumonji domain containing protein 0.0066 0.3226 0.7525
Echinococcus multilocularis muscleblind protein 0.0168 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0712 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0066 0.3226 0.3226
Brugia malayi jmjC domain containing protein 0.0066 0.3226 0.3226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2347 0.5476
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Leishmania major hypothetical protein, conserved 0.0028 0.0712 1
Schistosoma mansoni transcription factor LCR-F1 0.0082 0.4287 1
Echinococcus granulosus muscleblind protein 0.0168 1 1
Brugia malayi hypothetical protein 0.0028 0.0712 0.0712
Echinococcus multilocularis lysine specific demethylase 5A 0.0066 0.3226 0.3226
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0712 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0213 0.0213
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.3226 0.7525
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0712 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0066 0.3226 0.7525
Loa Loa (eye worm) hypothetical protein 0.0028 0.0712 0.0712
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0082 0.4287 0.4287

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.055 uM Inhibition of GST-tagged human recombinant c-met N terminal domain expressed in Hi5 insect cells after 60 mins by liquid scintillation counting ChEMBL. 20382527

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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