Detailed information for compound 1568833

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.376 | Formula: C21H15N5O2
  • H donors: 2 H acceptors: 5 LogP: 2.41 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)c1ccc2n(n1)c(nn2)Cc1cccc2c1cc[nH]c2=O
  • InChi: 1S/C21H15N5O2/c27-15-5-1-4-14(11-15)18-7-8-19-23-24-20(26(19)25-18)12-13-3-2-6-17-16(13)9-10-22-21(17)28/h1-11,27H,12H2,(H,22,28)
  • InChiKey: ZIBNQGIKJJJILW-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
Toxoplasma gondii PA14 domain-containing protein 0.0145 1 0.5
Echinococcus multilocularis plexin a4 0.0025 0.0307 0.5
Schistosoma mansoni plexin 0.0021 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0145 1 0.5
Plasmodium vivax LCCL domain-containing protein 0.0145 1 0.5
Trichomonas vaginalis Antigenic protein P1, putative 0.0145 1 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0145 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0145 1 0.5
Plasmodium vivax LCCL domain-containing protein 0.0145 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0145 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0145 1 0.5
Plasmodium vivax LCCL domain-containing protein 0.0145 1 0.5
Brugia malayi plexin A 0.0025 0.0307 1
Onchocerca volvulus 0.0021 0 0.5
Loa Loa (eye worm) plexin A 0.0025 0.0307 1
Toxoplasma gondii PA14 domain-containing protein 0.0145 1 0.5
Toxoplasma gondii PA14 domain-containing protein 0.0145 1 0.5
Echinococcus granulosus plexin a4 0.0025 0.0307 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 0.47 uM Growth inhibition of c-met-amplified human MKN45 cells after 72 hrs by MTS assay ChEMBL. 22001029
GI50 (functional) = 1.1 uM Growth inhibition of c-met-amplified human SNU5 cells after 72 hrs by MTS assay ChEMBL. 22001029
GI50 (functional) > 10 uM Growth inhibition of c-met-independent human NCI-N87 cells after 72 hrs by MTS assay ChEMBL. 22001029
IC50 (binding) = 0.003 uM Inhibition of recombinant c-met by HTRF assay ChEMBL. 22001029

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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