Detailed information for compound 1466617

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 514.937 | Formula: C24H24ClFN6O4
  • H donors: 3 H acceptors: 4 LogP: 4.74 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)N1CCCOc2c1cc(cc2)Nc1ncc(c(n1)Nc1c(F)cccc1C(=O)NC)Cl
  • InChi: 1S/C24H24ClFN6O4/c1-3-35-24(34)32-10-5-11-36-19-9-8-14(12-18(19)32)29-23-28-13-16(25)21(31-23)30-20-15(22(33)27-2)6-4-7-17(20)26/h4,6-9,12-13H,3,5,10-11H2,1-2H3,(H,27,33)(H2,28,29,30,31)
  • InChiKey: VYGPGOQRHYKKHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0686 0.0413 0.5
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 1.6335 1 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0686 0.0413 0.5
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0686 0.0413 0.5
Loa Loa (eye worm) plexin A 0.0025 0.0008 0.0186
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0686 0.0413 0.5
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0686 0.0413 1
Loa Loa (eye worm) hypothetical protein 0.0686 0.0413 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0005 0.0129
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.6209 0.3796 0.5
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.6209 0.3796 0.5
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0686 0.0413 1
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0686 0.0413 0.5
Brugia malayi plexin A 0.0025 0.0008 0.0057
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0686 0.0413 0.5
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0686 0.0413 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0686 0.0413 1
Schistosoma mansoni plexin 0.0021 0.0005 0.0129
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0686 0.0413 0.5
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 1.6335 1 0.5
Onchocerca volvulus 0.0686 0.0413 1
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0686 0.0413 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0686 0.0413 1
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 1.6335 1 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0686 0.0413 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0686 0.0413 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 140 nM Inhibition of c-Met cytoplasmic domain expressed in baculovirus after 30 mins by time-resolved fluorescence assay ChEMBL. 21190849
IC50 (binding) = 440 nM Inhibition of c-Met expressed in human GTL-16 cells after 2 hrs ChEMBL. 21190849

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.