Detailed information for compound 168371

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 288.299 | Formula: C15H16N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCO/C(=N\c1cccc2c1nc(cc2O)C(=O)OC)/C
  • InChi: 1S/C15H16N2O4/c1-4-21-9(2)16-11-7-5-6-10-13(18)8-12(15(19)20-3)17-14(10)11/h5-8H,4H2,1-3H3,(H,17,18)
  • InChiKey: FMFFSWDJPMCCAU-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
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0245 0.1572 0.1572
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0245 0.1572 0.1572
Schistosoma mansoni sodium/chloride dependent transporter 0.0245 0.1572 0.1572
Loa Loa (eye worm) serotonin transporter b 0.1443 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0119 0.0683 0.0683
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0109 0.0613 0.0613
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.007 0.007
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0245 0.1572 0.1572
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0031 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0094 0.0512 0.0512
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.1572
Loa Loa (eye worm) norepinephrine transporter 0.1443 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.007 0.007
Plasmodium falciparum amino acid transporter, putative 0.0245 0.1572 0.5
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Treponema pallidum sodium- and chloride- dependent transporter 0.1443 1 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0109 0.0613 0.0613
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0245 0.1572 0.1572
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0109 0.0613 0.0613
Schistosoma mansoni hypothetical protein 0.0166 0.1013 0.1013
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0031 0.007 0.007
Echinococcus granulosus serotonin transporter 0.1443 1 1
Echinococcus granulosus geminin 0.0166 0.1013 0.1013
Echinococcus multilocularis sodium and chloride dependent glycine 0.0245 0.1572 0.1572
Toxoplasma gondii hypothetical protein 0.0245 0.1572 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0245 0.1572 0.1572
Loa Loa (eye worm) solute carrier family 6 member 4 0.1443 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.0563 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Schistosoma mansoni sodium/chloride dependent transporter 0.1443 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.1572
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Onchocerca volvulus 0.1443 1 1
Loa Loa (eye worm) hypothetical protein 0.1443 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.0563 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0109 0.0613 0.0613
Plasmodium falciparum transporter, putative 0.0245 0.1572 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0245 0.1572 0.1572
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.1572
Echinococcus granulosus voltage gated potassium channel 0.0031 0.007 0.007
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1443 1 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0031 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.0031 0.007 0.007
Plasmodium vivax hypothetical protein, conserved 0.0245 0.1572 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0245 0.1572 0.1572
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0245 0.1572 0.1572
Echinococcus multilocularis serotonin transporter 0.1443 1 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0245 0.1572 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0245 0.1572 0.1572
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0245 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Schistosoma mansoni voltage-gated potassium channel 0.0119 0.0683 0.0683
Toxoplasma gondii hypothetical protein 0.0245 0.1572 0.5
Plasmodium vivax amine transporter, putative 0.0245 0.1572 0.5
Schistosoma mansoni sodium-dependent amino acid transporter 0.0245 0.1572 0.1572
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0245 0.1572 0.1572
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0245 0.1572 0.1572
Echinococcus multilocularis geminin 0.0166 0.1013 0.1013
Echinococcus granulosus sodium and chloride dependent glycine 0.0245 0.1572 0.1572
Brugia malayi hypothetical protein 0.0245 0.1572 0.1572
Loa Loa (eye worm) hypothetical protein 0.1443 1 1
Echinococcus multilocularis voltage gated potassium channel 0.0031 0.007 0.007
Schistosoma mansoni hypothetical protein 0.0166 0.1013 0.1013
Loa Loa (eye worm) hypothetical protein 0.1443 1 1
Loa Loa (eye worm) hypothetical protein 0.0245 0.1572 0.1572
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0245 0.1572 0.1572

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 24 Antiallergic activity determined by rat passive cutaneous anaphylaxis (PCA) assay when administered intraperitoneally at dose 60 mg/kg ChEMBL. 2857792

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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