Detailed information for compound 1084624

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.531 | Formula: C23H24FN5O4S
  • H donors: 1 H acceptors: 5 LogP: 1.83 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C)C)F
  • InChi: 1S/C23H24FN5O4S/c1-28(2)34(31,32)27-19-6-4-15-5-7-22-21(23(30)20(15)9-19)8-16(10-25-22)17-11-26-29(12-17)13-18(24)14-33-3/h4-12,18,27H,13-14H2,1-3H3
  • InChiKey: QQVLTJCDPRETGN-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
Loa Loa (eye worm) fatty acid elongation protein 3 0.0066 0.0642 0.1565
Trypanosoma cruzi fatty acid elongase, putative 0.0066 0.0642 0.1267
Echinococcus granulosus elongation of very long chain fatty acids 0.0066 0.0642 0.0642
Schistosoma mansoni plexin 0.0021 0.0045 0.0045
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0066 0.0642 1
Brugia malayi fatty acid elongation protein 3 0.0066 0.0642 0.1565
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Echinococcus multilocularis elongation of very long chain fatty acids 0.0066 0.0642 0.0642
Trypanosoma cruzi fatty acid elongase, putative 0.0066 0.0642 0.1267
Trypanosoma cruzi fatty acid elongase, putative 0.0325 0.4105 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0505 0.1231
Toxoplasma gondii fatty acid elongase 0.0066 0.0642 0.1267
Loa Loa (eye worm) hypothetical protein 0.0055 0.0505 0.1231
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0505 0.1231
Trypanosoma brucei Long chain fatty acyl elongase 0.0066 0.0642 0.1267
Onchocerca volvulus 0.0066 0.0642 1
Toxoplasma gondii GNS1/SUR4 family protein 0.0325 0.4105 1
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0066 0.0642 0.1565
Trypanosoma brucei Fatty acid elongase 0.0066 0.0642 0.1267
Brugia malayi plexin A 0.0025 0.0096 0.0233
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Trypanosoma brucei Fatty acid elongase 0.0066 0.0642 0.1267
Loa Loa (eye worm) fatty acid elongation protein 3 0.0066 0.0642 0.1565
Brugia malayi Fatty acid elongation protein 3 0.0325 0.4105 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0066 0.0642 0.0642
Leishmania major fatty acid elongase, putative 0.0325 0.4105 1
Loa Loa (eye worm) hypothetical protein 0.0166 0.1981 0.4826
Echinococcus multilocularis elongation of very long chain fatty acids 0.0066 0.0642 0.0642
Brugia malayi hypothetical protein 0.0028 0.014 0.0341
Echinococcus granulosus muscleblind protein 0.0166 0.1981 0.1981
Trypanosoma brucei Fatty acid elongase 0.0325 0.4105 1
Loa Loa (eye worm) fatty acid elongation protein 3 0.0325 0.4105 1
Brugia malayi Hypothetical 34.1 kDa protein C40H1.4 in chromosome III 0.0066 0.0642 0.1565
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Brugia malayi Plexin repeat family protein 0.0021 0.0045 0.0109
Echinococcus multilocularis plexin a4 0.0025 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0066 0.0642 0.1565
Brugia malayi fatty acid elongation protein 3 0.0066 0.0642 0.1565
Onchocerca volvulus 0.0066 0.0642 1
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Toxoplasma gondii integral membrane protein, GNS1/SUR4 family protein, putative 0.0325 0.4105 1
Schistosoma mansoni fatty acid acyl transferase-related 0.0066 0.0642 0.0642
Loa Loa (eye worm) hypothetical protein 0.0021 0.0045 0.0109
Trypanosoma cruzi fatty acid elongase, putative 0.0325 0.4105 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0066 0.0642 0.0642
Loa Loa (eye worm) GNS1/SUR4 family protein 0.0325 0.4105 1
Echinococcus granulosus plexin a4 0.0025 0.0096 0.0096
Trypanosoma cruzi fatty acid elongase, putative 0.0066 0.0642 0.1267
Leishmania major long chain polyunsaturated fatty acid elongation enzyme-like protein 0.0066 0.0642 0.1267
Loa Loa (eye worm) hypothetical protein 0.0166 0.1981 0.4826
Echinococcus granulosus elongation of very long chain fatty acids 0.0066 0.0642 0.0642
Echinococcus multilocularis muscleblind protein 0.0166 0.1981 0.1981
Loa Loa (eye worm) fatty acid elongation protein 3 0.0066 0.0642 0.1565
Schistosoma mansoni elongation of fatty acids protein 1 0.0066 0.0642 0.0642
Onchocerca volvulus Elongation of very long chain fatty acids protein homolog 0.0066 0.0642 1
Plasmodium falciparum fatty acid elongation protein, GNS1/SUR4 family, putative 0.0325 0.4105 1
Trypanosoma cruzi fatty acid elongase, putative 0.0325 0.4105 1
Schistosoma mansoni elongation of fatty acids protein 1 0.0066 0.0642 0.0642
Brugia malayi fatty acid elongation protein 3 0.0066 0.0642 0.1565
Brugia malayi Muscleblind-like protein 0.0166 0.1981 0.4826
Schistosoma mansoni cellular tumor antigen P53 0.0055 0.05 0.05
Brugia malayi GNS1/SUR4 family protein 0.0066 0.0642 0.1565
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0271 0.0661
Trypanosoma cruzi fatty acid elongase, putative 0.0066 0.0642 0.1267
Schistosoma mansoni hypothetical protein 0.0038 0.0271 0.0271
Echinococcus multilocularis microtubule associated protein 2 0.0766 1 1
Echinococcus multilocularis tumor protein p63 0.0375 0.4777 0.4777
Plasmodium vivax long chain polyunsaturated fatty acid elongation enzyme, putative 0.0066 0.0642 0.1267
Loa Loa (eye worm) ELO-9 protein 0.0066 0.0642 0.1565
Trypanosoma cruzi fatty acid elongase, putative 0.0325 0.4105 1
Trypanosoma brucei elongation of very long chain fatty acids protein, putative 0.0066 0.0642 0.1267
Plasmodium falciparum long chain fatty acid elongation enzyme, putative 0.0325 0.4105 1
Onchocerca volvulus Elongation of very long chain fatty acids protein 5 homolog 0.0066 0.0642 1
Trypanosoma cruzi fatty acid elongase, putative 0.0066 0.0642 0.1267
Brugia malayi fatty acid elongation protein 3 0.0066 0.0642 0.1565
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Echinococcus granulosus tumor protein p63 0.0375 0.4777 0.4777
Trypanosoma cruzi fatty acid elongase, putative 0.0066 0.0642 0.1267
Plasmodium falciparum long chain polyunsaturated fatty acid elongation enzyme, putative 0.0066 0.0642 0.1267
Plasmodium vivax GNS1/SUR4 domain containing protein 0.0325 0.4105 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0505 0.1231
Loa Loa (eye worm) hypothetical protein 0.0028 0.014 0.0341
Brugia malayi GNS1/SUR4 family protein 0.0325 0.4105 1
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Loa Loa (eye worm) plexin A 0.0025 0.0096 0.0233
Plasmodium vivax elongation of very long chain fatty acids protein 3, putative 0.0066 0.0642 0.1267
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Loa Loa (eye worm) hypothetical protein 0.0055 0.05 0.1217
Echinococcus multilocularis muscleblind protein 1 0.0166 0.1981 0.1981
Brugia malayi hypothetical protein 0.0018 0.0007 0.0018
Leishmania major fatty acid elongase, putative 0.0325 0.4105 1
Leishmania major fatty acid elongase, putative 0.0325 0.4105 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0271 0.0661
Leishmania major fatty acid elongase, putative 0.0066 0.0642 0.1267
Onchocerca volvulus 0.0055 0.05 0.761
Schistosoma mansoni microtubule-associated protein tau 0.0766 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 nM Inhibition of human recombinant c-Met-catalyzed phosphorylation of N-biotinylated peptide (EQEDEPEGDYFEWLE-CONH2) by time-resolved fluorescence resonance energy transfer assay ChEMBL. 21608528
IC50 (binding) = 20 nM Inhibition of c-MET overexpressed in human GTL-16 cells assessed as phosphorylation at C-terminal Y1349 after 2 hrs by Western blot analysis ChEMBL. 21608528

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.