Detailed information for compound 515449

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.466 | Formula: C24H25FN2O2
  • H donors: 1 H acceptors: 1 LogP: 4.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)NC1CCN(CC1)Cc1ccc2c(c1)ccc(c2)F
  • InChi: 1S/C24H25FN2O2/c1-29-23-4-2-3-20(15-23)24(28)26-22-9-11-27(12-10-22)16-17-5-6-19-14-21(25)8-7-18(19)13-17/h2-8,13-15,22H,9-12,16H2,1H3,(H,26,28)
  • InChiKey: RXMWAGHSIVJUIT-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 chemokine (C-C motif) receptor 3 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
Schistosoma mansoni alpha-glucosidase 0.1158 0.9483 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0143 0.016 0.0759
Brugia malayi Glycosyl hydrolases family 31 protein 0.0182 0.0517 0.0517
Giardia lamblia 4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase 0.0143 0.016 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.016 0.016
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1214 1 1
Brugia malayi Amylo-alpha-1,6-glucosidase family protein 0.0143 0.016 0.016
Trichomonas vaginalis alpha-glucosidase, putative 0.0182 0.0517 0.2449
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0355 0.211 1
Onchocerca volvulus 0.0877 0.6907 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0182 0.0517 0.2449
Schistosoma mansoni hypothetical protein 0.0184 0.0535 0.002
Trichomonas vaginalis alpha-glucosidase, putative 0.0182 0.0517 0.2449
Trichomonas vaginalis alpha-glucosidase, putative 0.0182 0.0517 0.2449
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0355 0.211 1
Trypanosoma cruzi hypothetical protein, conserved 0.0182 0.0517 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1214 1 1
Schistosoma mansoni alpha-l-fucosidase 0.0809 0.6282 0.643
Trichomonas vaginalis sucrase-isomaltase, putative 0.0182 0.0517 0.2449
Trichomonas vaginalis maltase-glucoamylase, putative 0.0182 0.0517 0.2449
Leishmania major alpha glucosidase II subunit, putative 0.0182 0.0517 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0182 0.0517 0.2449
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0182 0.0517 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0182 0.0517 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0182 0.0517 0.0362
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0182 0.0517 0.0517
Loa Loa (eye worm) alpha-L-fucosidase 0.0809 0.6282 0.6282
Echinococcus multilocularis lysosomal alpha glucosidase 0.1214 1 1
Schistosoma mansoni alpha-glucosidase 0.1158 0.9483 1
Mycobacterium ulcerans alpha-L-fucosidase 0.0809 0.6282 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0182 0.0517 1
Trypanosoma brucei glucosidase, putative 0.0182 0.0517 1
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0809 0.6282 0.6222
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0182 0.0517 0.2449
Trichomonas vaginalis alpha-glucosidase, putative 0.0182 0.0517 0.2449
Echinococcus granulosus lysosomal alpha glucosidase 0.1214 1 1
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0809 0.6282 0.6222
Brugia malayi Alpha-L-fucosidase family protein 0.0809 0.6282 0.6282
Echinococcus multilocularis neutral alpha glucosidase AB 0.0182 0.0517 0.0362
Trypanosoma cruzi hypothetical protein, conserved 0.0182 0.0517 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0143 0.016 0.0759
Entamoeba histolytica glycogen debranching enzyme, putative 0.0143 0.016 0.31

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.5 uM Antagonist activity at CCR3 (unknown origin) expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx ChEMBL. 17951061
IC50 (functional) = 3.5 uM Antagonist activity at CCR3 (unknown origin) expressed in B300-19 cells assessed as inhibition of eotaxin-induced calcium influx ChEMBL. 17951061

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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