Detailed information for compound 1092086

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.444 | Formula: C21H18N2O3S
  • H donors: 2 H acceptors: 4 LogP: 2.78 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1c2cc(cnc2C=Cc2c1cc(cc2)NS(=O)(=O)C)c1ccccc1
  • InChi: 1S/C21H18N2O3S/c1-27(25,26)23-17-9-7-15-8-10-20-19(21(24)18(15)12-17)11-16(13-22-20)14-5-3-2-4-6-14/h2-13,21,23-24H,1H3
  • InChiKey: WXKUPXNRORPGDD-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
Brugia malayi Cytochrome P450 family protein 0.0029 0.0705 0.0705
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.1135 0.5
Echinococcus multilocularis tar DNA binding protein 0.0062 0.3081 0.3081
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.6937 0.6937
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1135 0.5
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.1135 0.1135
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1135 0.5
Schistosoma mansoni lipoxygenase 0.0081 0.4431 0.5266
Loa Loa (eye worm) TAR-binding protein 0.0062 0.3081 0.3081
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1135 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.3081 0.3081
Onchocerca volvulus 0.0091 0.5197 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.1135 0.5
Echinococcus multilocularis plexin a4 0.0025 0.0389 0.0389
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1135 0.5
Schistosoma mansoni lipoxygenase 0.0115 0.6937 0.8245
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 1 1
Brugia malayi RNA binding protein 0.0062 0.3081 0.3081
Schistosoma mansoni alpha-glucosidase 0.0136 0.8414 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1135 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.3081 0.3081
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0114 0.0114
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1135 0.5
Brugia malayi plexin A 0.0025 0.0389 0.0389
Trypanosoma brucei glucosidase, putative 0.0035 0.1135 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3081 0.3662
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.6937 0.6937
Schistosoma mansoni alpha glucosidase 0.0035 0.1135 0.135
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.1135 0.1135
Echinococcus granulosus plexin a4 0.0025 0.0389 0.0389
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1135 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1135 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.1135 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3081 0.3662
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3081 0.3662
Brugia malayi Plexin repeat family protein 0.0021 0.0114 0.0114
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.1135 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0019 0 0.5
Loa Loa (eye worm) plexin A 0.0025 0.0389 0.0389
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.1135 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.3081 0.3081
Schistosoma mansoni alpha-glucosidase 0.0136 0.8414 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3081 0.3662
Schistosoma mansoni plexin 0.0021 0.0114 0.0135
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0705 0.0705
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.1135 0.1135
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.1135 0.5
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.1135 0.1135
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.3081 0.3081
Schistosoma mansoni tar DNA-binding protein 0.0062 0.3081 0.3662
Brugia malayi TAR-binding protein 0.0062 0.3081 0.3081
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.1135 0.5
Onchocerca volvulus 0.0021 0.0114 0.0219

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 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

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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