Detailed information for compound 1820873

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.358 | Formula: C19H18N2O3
  • H donors: 2 H acceptors: 4 LogP: 3.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(=CC(=O)c2c1nccc2)NCCc1cc(C)c(c(c1)C)O
  • InChi: 1S/C19H18N2O3/c1-11-8-13(9-12(2)18(11)23)5-7-20-15-10-16(22)14-4-3-6-21-17(14)19(15)24/h3-4,6,8-10,20,23H,5,7H2,1-2H3
  • InChiKey: YJIMGTNBQRVAOF-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 ezrin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR011259,Ezrin/radixin/moesin, C-terminal,domain-containing Get druggable targets OG5_129438 All targets in OG5_129438
Loa Loa (eye worm) moesin Get druggable targets OG5_129438 All targets in OG5_129438
Schistosoma mansoni merlin/moesin/ezrin/radixin Get druggable targets OG5_129438 All targets in OG5_129438
Echinococcus granulosus H17g protein tegumental antigen Get druggable targets OG5_129438 All targets in OG5_129438
Echinococcus multilocularis radixin Get druggable targets OG5_129438 All targets in OG5_129438
Brugia malayi Moesin/ezrin/radixin homolog 1 Get druggable targets OG5_129438 All targets in OG5_129438
Echinococcus granulosus ezrin Get druggable targets OG5_129438 All targets in OG5_129438
Schistosoma mansoni merlin/moesin/ezrin/radixin Get druggable targets OG5_129438 All targets in OG5_129438
Schistosoma mansoni merlin/moesin/ezrin/radixin Get druggable targets OG5_129438 All targets in OG5_129438
Echinococcus multilocularis ezrin Get druggable targets OG5_129438 All targets in OG5_129438
Echinococcus granulosus radixin Get druggable targets OG5_129438 All targets in OG5_129438
Echinococcus multilocularis H17g protein, tegumental antigen Get druggable targets OG5_129438 All targets in OG5_129438
Schistosoma japonicum ko:K08007 villin 2 (ezrin), putative Get druggable targets OG5_129438 All targets in OG5_129438

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
Echinococcus granulosus Ezrin radixin moesin ERM 0.0012 0.0737 0.0737
Onchocerca volvulus 0.0012 0.0737 0.5
Echinococcus granulosus SPRY domain containing protein 0.0012 0.0737 0.0737
Leishmania major cytochrome p450-like protein 0.0014 0.1264 0.5
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0037 0.5608 0.5608
Echinococcus multilocularis Pleckstrin y 0.0012 0.0737 0.0737
Brugia malayi neurofibromatosis homolog protein 1 0.0035 0.5128 0.5128
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0012 0.0737 0.0737
Echinococcus multilocularis FERM domain containing protein 5 0.0012 0.0737 0.0737
Schistosoma mansoni hypothetical protein 0.0009 0.0191 0.0191
Loa Loa (eye worm) GRP1 binding protein 0.0009 0.0191 0.0191
Echinococcus granulosus protein 4.1 0.0012 0.0737 0.0737
Brugia malayi Cytochrome P450 family protein 0.0014 0.1264 0.1264
Onchocerca volvulus Putative 4.1 G protein 0.0012 0.0737 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0737 0.0737
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0012 0.0737 0.0737
Echinococcus multilocularis radixin 0.0033 0.4872 0.4872
Echinococcus granulosus SPRY domain containing protein 0.0012 0.0737 0.0737
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0012 0.0737 0.0737
Echinococcus multilocularis FERM and pleckstrin domain containing protein 0.0012 0.0737 0.0737
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.1264 0.5
Echinococcus granulosus merlin:moesin:ezrin:radixin 0.0012 0.0737 0.0737
Brugia malayi Ferm domain 0.0012 0.0737 0.0737
Loa Loa (eye worm) hypothetical protein 0.0012 0.0737 0.0737
Echinococcus granulosus FERM and pleckstrin domain containing protein 0.0012 0.0737 0.0737
Echinococcus multilocularis ezrin 0.0033 0.4872 0.4872
Echinococcus granulosus H17g protein tegumental antigen 0.0061 1 1
Echinococcus multilocularis merlin:moesin:ezrin:radixin 0.0012 0.0737 0.0737
Schistosoma mansoni hypothetical protein 0.0009 0.0191 0.0191
Echinococcus multilocularis SPRY domain containing protein 0.0012 0.0737 0.0737
Brugia malayi Ferm domain 0.0012 0.0737 0.0737
Echinococcus granulosus FERM domain containing protein 5 0.0012 0.0737 0.0737
Schistosoma mansoni Band 4.1-like protein 0.0012 0.0737 0.0737
Loa Loa (eye worm) hypothetical protein 0.0012 0.0737 0.0737
Echinococcus granulosus Pleckstrin y 0.0012 0.0737 0.0737
Echinococcus multilocularis FERM domain containing protein 3 0.0012 0.0737 0.0737
Brugia malayi hypothetical protein 0.0012 0.0737 0.0737
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0061 1 1
Brugia malayi hypothetical protein 0.0023 0.2953 0.2953
Onchocerca volvulus 0.0012 0.0737 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.1264 0.1264
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.1264 0.1264
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0012 0.0737 0.0737
Loa Loa (eye worm) hypothetical protein 0.0023 0.2953 0.2953
Loa Loa (eye worm) moesin 0.0061 1 1
Echinococcus granulosus FERM domain containing protein 3 0.0012 0.0737 0.0737
Echinococcus multilocularis SPRY domain containing protein 0.0012 0.0737 0.0737
Onchocerca volvulus 0.0012 0.0737 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0014 0.1264 0.5
Schistosoma mansoni hypothetical protein 0.0012 0.0737 0.0737
Brugia malayi Cytochrome P450 family protein 0.0014 0.1264 0.1264
Echinococcus granulosus SPRY domain containing protein 0.0012 0.0737 0.0737
Echinococcus multilocularis 0.0012 0.0737 0.0737
Echinococcus multilocularis H17g protein, tegumental antigen 0.0061 1 1
Echinococcus multilocularis Ezrin radixin moesin ERM 0.0012 0.0737 0.0737
Loa Loa (eye worm) hypothetical protein 0.0012 0.0737 0.0737
Loa Loa (eye worm) CYP4Cod1 0.0014 0.1264 0.1264
Loa Loa (eye worm) hypothetical protein 0.0012 0.0737 0.0737
Schistosoma mansoni hypothetical protein 0.0012 0.0737 0.0737
Echinococcus granulosus radixin 0.0033 0.4872 0.4872
Loa Loa (eye worm) hypothetical protein 0.0012 0.0737 0.0737
Schistosoma mansoni merlin/moesin/ezrin/radixin 0.0054 0.8718 0.8718
Loa Loa (eye worm) hypothetical protein 0.0008 0.0057 0.0057
Echinococcus granulosus ezrin 0.0033 0.4872 0.4872
Trypanosoma brucei cytochrome P450, putative 0.0014 0.1264 0.5
Brugia malayi FERM domain 0.0012 0.0737 0.0737
Loa Loa (eye worm) hypothetical protein 0.0023 0.2953 0.2953
Brugia malayi GRP1 binding protein 0.0012 0.0737 0.0737
Trypanosoma cruzi cytochrome P450, putative 0.0014 0.1264 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of ezrin in mouse K7M2 cells assessed as reduction in phosphorylation at Thr 567 at 10 uM after 6 hrs by immunoblotting analysis ChEMBL. 24326277
Kd (binding) = 5 uM Binding affinity to recombinant ezrin (unknown origin) by surface plasmon resonance spectrometry ChEMBL. 24326277

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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