Detailed information for compound 1601335

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.532 | Formula: C27H24N8O
  • H donors: 1 H acceptors: 6 LogP: 2.4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC2(CC1)C(=O)Nc1c2cc(cc1)c1cnc2c(n1)n(nn2)Cc1ccc2c(c1)cccn2
  • InChi: 1S/C27H24N8O/c1-34-11-8-27(9-12-34)20-14-19(5-7-22(20)31-26(27)36)23-15-29-24-25(30-23)35(33-32-24)16-17-4-6-21-18(13-17)3-2-10-28-21/h2-7,10,13-15H,8-9,11-12,16H2,1H3,(H,31,36)
  • InChiKey: AWRXYFXRLWUVLZ-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
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0033 0.0182 0.0045
Loa Loa (eye worm) phosphatidylinositol 3 0.0165 0.2177 0.2177
Loa Loa (eye worm) hypothetical protein 0.0064 0.0648 0.0648
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0098 0.1171 0.1008
Entamoeba histolytica hypothetical protein 0.0078 0.0868 0.6931
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0682 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0098 0.1171 0.1008
Trichomonas vaginalis CMGC family protein kinase 0.0682 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0098 0.1171 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0682 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0068 0.0706 0.0534
Echinococcus granulosus c-Jun N-terminal kinases 0.0469 0.6776 0.6758
Trypanosoma brucei protein kinase, putative 0.0682 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0185 0.2481 0.2437
Onchocerca volvulus 0.0021 0 0.5
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0087 0.0994 0.0994
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0682 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0095 0.1127 0.9555
Trichomonas vaginalis CMGC family protein kinase 0.0682 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0682 1 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0682 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.003 0.0138 0.0138
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0068 0.0706 0.0534
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0044 0.0344 0.1637
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0078 0.0868 0.6931
Echinococcus multilocularis c Jun NH2 terminal kinase 0.0469 0.6776 0.6758
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0682 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0098 0.1171 0.1048
Echinococcus multilocularis mitogen activated protein kinase 0.0682 1 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0682 1 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0682 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0098 0.1171 0.1171
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0033 0.0182 0.0182
Loa Loa (eye worm) plexin A 0.0025 0.0058 0.0058
Echinococcus granulosus mitogen activated protein kinase 0.0682 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0208 0.0208
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0064 0.0648 0.0648
Schistosoma mansoni serine/threonine protein kinase 0.0682 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0469 0.6776 0.6776
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0064 0.0648 0.0593
Brugia malayi plexin A 0.0025 0.0058 0.0058
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.0469 0.6776 0.6776
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0185 0.2481 0.2481
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0064 0.0648 0.0593
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0185 0.2481 0.2437
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0682 1 1
Brugia malayi Stress-activated protein kinase jnk-1 0.0469 0.6776 0.6776
Echinococcus granulosus mitogen activated protein kinase 3 0.0682 1 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0682 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0098 0.1171 0.1048
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0098 0.1171 0.1008
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0047 0.0402 0.0371
Trichomonas vaginalis CMGC family protein kinase 0.0682 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0033 0.0182 0.0182
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0682 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.227 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) = 4.77 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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