Detailed information for compound 214558

Basic information

Technical information
  • TDR Targets ID: 214558
  • Name: (E)-1-(2-hydroxyphenyl)-3-(5-nitrofuran-2-yl) prop-2-en-1-one
  • MW: 259.214 | Formula: C13H9NO5
  • H donors: 1 H acceptors: 4 LogP: 3.15 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1O)/C=C/c1ccc(o1)[N+](=O)[O-]
  • InChi: 1S/C13H9NO5/c15-11-4-2-1-3-10(11)12(16)7-5-9-6-8-13(19-9)14(17)18/h1-8,15H/b7-5+
  • InChiKey: SALSDRIUUMVHAX-FNORWQNLSA-N  

Network

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Synonyms

  • (E)-1-(2-hydroxyphenyl)-3-(5-nitro-2-furyl)prop-2-en-1-one
  • (E)-1-(2-hydroxyphenyl)-3-(5-nitro-2-furyl)-2-propen-1-one

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
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1113 0.38 0.5
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.1142 0.3905 0.3905
Onchocerca volvulus 0.0194 0.0501 0.1282
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.0501
Onchocerca volvulus 0.0194 0.0501 0.1282
Echinococcus granulosus serotonin transporter 0.1142 0.3905 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Echinococcus multilocularis sodium and chloride dependent glycine 0.0194 0.0501 0.1282
Echinococcus granulosus sodium and chloride dependent glycine 0.0194 0.0501 0.1282
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.1142 0.3905 0.3905
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0194 0.0501 0.1282
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Schistosoma mansoni sodium-dependent amino acid transporter 0.0194 0.0501 0.1282
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0575 0.187 0.5
Echinococcus granulosus kinesin family 1 0.0401 0.1242 0.3181
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0194 0.0501 0.5
Echinococcus multilocularis kinesin family 1 0.0401 0.1242 0.3181
Onchocerca volvulus 0.1142 0.3905 1
Loa Loa (eye worm) hypothetical protein 0.1142 0.3905 0.3905
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0194 0.0501 0.1282
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Toxoplasma gondii hypothetical protein 0.0194 0.0501 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0194 0.0501 0.1282
Brugia malayi ERG2 and Sigma1 receptor like protein 0.1113 0.38 0.38
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.2841 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.1142 0.3905 0.5
Plasmodium falciparum transporter, putative 0.0194 0.0501 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0194 0.0501 0.1282
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Loa Loa (eye worm) norepinephrine transporter 0.1142 0.3905 0.3905
Plasmodium vivax amine transporter, putative 0.0194 0.0501 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.0501
Brugia malayi hypothetical protein 0.0194 0.0501 0.0501
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1142 0.3905 0.3905
Schistosoma mansoni sodium/chloride dependent transporter 0.1142 0.3905 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0194 0.0501 0.1282
Echinococcus granulosus sodium and chloride dependent glycine 0.0194 0.0501 0.1282
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0194 0.0501 0.1282
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0619 0.2026 0.5
Onchocerca volvulus 0.0194 0.0501 0.1282
Plasmodium vivax hypothetical protein, conserved 0.0194 0.0501 0.5
Plasmodium falciparum amino acid transporter, putative 0.0194 0.0501 0.5
Loa Loa (eye worm) hypothetical protein 0.2841 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0194 0.0501 0.0501
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0619 0.2026 0.5
Loa Loa (eye worm) hypothetical protein 0.2841 1 1
Toxoplasma gondii hypothetical protein 0.0194 0.0501 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0194 0.0501 0.1282
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0194 0.0501 0.1282
Loa Loa (eye worm) hypothetical protein 0.0194 0.0501 0.0501
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0194 0.0501 0.0501
Trypanosoma brucei C-8 sterol isomerase, putative 0.1113 0.38 0.5
Schistosoma mansoni hypothetical protein 0.0349 0.1055 0.2703
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0194 0.0501 0.1282
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1142 0.3905 1
Loa Loa (eye worm) hypothetical protein 0.0569 0.1847 0.1847
Echinococcus multilocularis sodium and chloride dependent glycine 0.0194 0.0501 0.1282
Loa Loa (eye worm) hypothetical protein 0.1113 0.38 0.38
Schistosoma mansoni sodium/chloride dependent transporter 0.0194 0.0501 0.1282
Loa Loa (eye worm) solute carrier family 6 member 4 0.1142 0.3905 0.3905
Echinococcus multilocularis serotonin transporter 0.1142 0.3905 1
Leishmania major C-8 sterol isomerase-like protein 0.1113 0.38 0.5
Loa Loa (eye worm) serotonin transporter b 0.1142 0.3905 0.3905

Activities

Activity type Activity value Assay description Source Reference
Log 1/IC50 (functional) = 1.19 Compound was tested against gram-negative Caulobacter crescentus, strain NA 1000 bacteria ChEMBL. 11606132
Log 1/IC50 (functional) = 2.14 Activity against gram-positive Staphylococcus aureus strain ATCC 25923 bacteria ChEMBL. 11606132

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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