Detailed information for compound 1564265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.532 | Formula: C27H24N8O
  • H donors: 1 H acceptors: 6 LogP: 2.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC2(CC1)C(=O)Nc1c2ccc(c1)c1ncc2c(n1)n(nn2)Cc1ccc2c(c1)cccn2
  • InChi: 1S/C27H24N8O/c1-34-11-8-27(9-12-34)20-6-5-19(14-22(20)30-26(27)36)24-29-15-23-25(31-24)35(33-32-23)16-17-4-7-21-18(13-17)3-2-10-28-21/h2-7,10,13-15H,8-9,11-12,16H2,1H3,(H,30,36)
  • InChiKey: PGDPLPHEBYIPLR-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 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
Schistosoma mansoni hypothetical protein 0.0033 0.5772 1
Echinococcus granulosus plexin a4 0.0025 0.3471 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.2414 0.2414
Loa Loa (eye worm) hypothetical protein 0.0015 0.0865 0.0865
Loa Loa (eye worm) hypothetical protein 0.0033 0.5772 0.5772
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0865 0.0865
Schistosoma mansoni hypothetical protein 0.0015 0.0865 0.1499
Loa Loa (eye worm) plexin A 0.0025 0.3471 0.3471
Brugia malayi plexin A 0.0025 0.3471 0.2853
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.5772 0.5371
Schistosoma mansoni plexin 0.0021 0.2414 0.4182
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 1 1
Brugia malayi Plexin repeat family protein 0.0021 0.2414 0.1695
Schistosoma mansoni hypothetical protein 0.0015 0.0865 0.1499
Onchocerca volvulus 0.0021 0.2414 0.5
Echinococcus multilocularis plexin a4 0.0025 0.3471 1
Schistosoma mansoni hypothetical protein 0.0015 0.0865 0.1499
Schistosoma mansoni hypothetical protein 0.0015 0.0865 0.1499

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 13 uM Inhibition of 6-His-tagged human recombinant c-met using 5FAM-KKKSPGEYVNIGFG-NH2 as substrate after overnight incubation by TR-FRET assay ChEMBL. 22381355
IC50 (binding) = 1200 uM Inhibition of c-Met phosphorylation in human MKN45 cells after 1 hr by Western blot analysis ChEMBL. 22381355

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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