Detailed information for compound 28924

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 359.42 | Formula: C19H25N3O4
  • H donors: 4 H acceptors: 2 LogP: 1.52 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)NCCNCC(COc1ccccc1)O
  • InChi: 1S/C19H25N3O4/c1-25-17-9-7-15(8-10-17)22-19(24)21-12-11-20-13-16(23)14-26-18-5-3-2-4-6-18/h2-10,16,20,23H,11-14H2,1H3,(H2,21,22,24)
  • InChiKey: PVRZRZZPTCCHPV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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) animal heme peroxidase 0.0026 0.0126 0.1182
Brugia malayi hypothetical protein 0.0026 0.0126 0.1182
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0081 0.1582
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0126 0.1182
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0126 0.1182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Schistosoma mansoni hypothetical protein 0.0011 0.001 0.0081
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.046 0.4307
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0369 0.2764 0.3853
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.046 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0081 0.0758
Echinococcus granulosus cytochrome P450 2K1 0.0011 0.001 0.0081
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0234 0.1939
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0081 0.0758
Onchocerca volvulus 0.0026 0.0126 0.1182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0126 0.1182
Loa Loa (eye worm) cytochrome P450 family protein 0.0031 0.0165 0.1543
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0.0081 0.0071
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0126 0.1182
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0369 0.2764 1
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.094 0.7159 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0369 0.2764 0.2757
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.046 0.3811
Echinococcus multilocularis 0.0011 0.001 0.0081
Brugia malayi Blistered cuticle protein 3 0.0026 0.0126 0.1182
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0126 0.1182
Brugia malayi hypothetical protein 0.0149 0.1069 1
Trypanosoma cruzi cytochrome P450, putative 0.002 0.0081 0.1582
Schistosoma mansoni peroxidasin 0.0026 0.0126 0.1046
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0126 0.1182
Loa Loa (eye worm) cytochrome P450 0.0011 0.001 0.0091
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.094 0.7159 1
Schistosoma mansoni peroxidasin 0.0026 0.0126 0.1046
Onchocerca volvulus 0.0149 0.1069 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0126 0.1182
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.046 0.3811
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.001 0 0.5
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.046 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.046 0.4307
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0126 0.1182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Brugia malayi Cytochrome P450 family protein 0.002 0.0081 0.0758
Trypanosoma brucei cytochrome P450, putative 0.002 0.0081 0.1582
Brugia malayi Cytochrome P450 family protein 0.002 0.0081 0.0758
Brugia malayi Peroxidasin 0.0026 0.0126 0.1182
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0126 0.1182
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.046 1
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0126 0.1182
Echinococcus granulosus transcription factor Dp 1 0.004 0.0234 0.1939
Echinococcus multilocularis peroxidasin 0.0026 0.0126 0.1046
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0126 0.1182
Schistosoma mansoni cytochrome P450 0.0011 0.001 0.0081
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0126 0.1182
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.046 0.3811
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Trichomonas vaginalis MYB, putative 0.001 0 0.5
Brugia malayi cytochrome P450 0.0011 0.001 0.0091
Loa Loa (eye worm) CYP4Cod1 0.002 0.0081 0.0758
Onchocerca volvulus 0.0026 0.0126 0.1182
Echinococcus granulosus geminin 0.0167 0.1208 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.1069 1
Onchocerca volvulus Peroxidase homolog 0.0026 0.0126 0.1182
Schistosoma mansoni hypothetical protein 0.0167 0.1208 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Onchocerca volvulus 0.0026 0.0126 0.1182
Leishmania major cytochrome p450-like protein 0.002 0.0081 0.1582
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1309 1 1
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0126 0.1182
Brugia malayi Cytochrome P450 family protein 0.0011 0.001 0.0091
Echinococcus granulosus peroxidasin 0.0026 0.0126 0.1046
Brugia malayi Cytochrome P450 family protein 0.0031 0.0165 0.1543
Schistosoma mansoni hypothetical protein 0.0167 0.1208 1
Echinococcus multilocularis geminin 0.0167 0.1208 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1309 1 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.046 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1309 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0126 0.1182
Onchocerca volvulus Peroxidase homolog 0.0026 0.0126 0.1182

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 287 ug kg-1 In vivo beta adrenergic blocking potency was determined by inhibition of tachycardia produced by isoproterenol (0.2 mg/kg iv) in cat preparation ChEMBL. 6128420
ED50 (functional) = 287 ug kg-1 In vivo beta adrenergic blocking potency was determined by inhibition of tachycardia produced by isoproterenol (0.2 mg/kg iv) in cat preparation ChEMBL. 6128420
Inhibition (functional) = 33 % In vivo beta adrenergic blocking potency was determined by inhibition of depressor response produced by isoproterenol (0.2 mg/kg iv) in cat preparation ChEMBL. 6128420
Inhibition (functional) = 33 % In vivo beta adrenergic blocking potency was determined by inhibition of depressor response produced by isoproterenol (0.2 mg/kg iv) in cat preparation ChEMBL. 6128420

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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