Detailed information for compound 212814

Basic information

Technical information
  • TDR Targets ID: 212814
  • Name: (2Z)-5-methyl-2-[(5-nitrofuran-2-yl)methylide ne]-1-benzofuran-3-one
  • MW: 271.225 | Formula: C14H9NO5
  • H donors: 0 H acceptors: 3 LogP: 3.23 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(o1)[N+](=O)[O-])/O2
  • InChi: 1S/C14H9NO5/c1-8-2-4-11-10(6-8)14(16)12(20-11)7-9-3-5-13(19-9)15(17)18/h2-7H,1H3/b12-7-
  • InChiKey: QHBATEXHHZFLEY-GHXNOFRVSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2Z)-5-methyl-2-[(5-nitro-2-furyl)methylene]benzofuran-3-one
  • (2Z)-5-methyl-2-[(5-nitro-2-furyl)methylene]-3-benzofuranone
  • (2Z)-5-methyl-2-[(5-nitro-2-furyl)methylene]coumaran-3-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
Echinococcus granulosus thyrotropin releasing hormone receptor 0.027 0.0804 0.0804
Echinococcus multilocularis allatostatin A receptor 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine (dopamine) receptor 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus multilocularis g-protein coupled receptor 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.027 0.0804 0.0804
Echinococcus multilocularis serotonin receptor 0.2018 1 1
Echinococcus granulosus g protein coupled receptor 0.027 0.0804 0.0804
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.027 0.0804 0.0804
Echinococcus granulosus peptide allatostatin:somatostatin 0.027 0.0804 0.0804
Brugia malayi Serotonin receptor 0.1619 0.7901 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.027 0.0804 0.0804
Echinococcus multilocularis orexin receptor type 2 0.027 0.0804 0.0804
Echinococcus multilocularis g protein coupled receptor 0.027 0.0804 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis G-protein coupled receptor, putative 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine (dopamine) receptor 0.027 0.0804 0.0804
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.027 0.0804 0.0804
Echinococcus multilocularis thymidine phosphorylase 0.1333 0.6399 0.6399
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus multilocularis neuropeptide s receptor 0.027 0.0804 0.0804
Echinococcus multilocularis g protein coupled receptor 0.027 0.0804 0.0804
Schistosoma mansoni neuropeptide receptor 0.027 0.0804 0.0804
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptide Y receptor 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.027 0.0804 0.0804
Schistosoma mansoni hypothetical protein 0.027 0.0804 0.0804
Schistosoma mansoni opsin-like receptor 0.027 0.0804 0.0804
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.027 0.0804 0.0804
Schistosoma mansoni histamine h1 receptor 0.027 0.0804 0.0804
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptide Y receptor 0.027 0.0804 0.0804
Mycobacterium ulcerans thymidine phosphorylase 0.1333 0.6399 1
Schistosoma mansoni amine GPCR 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptide s receptor 0.027 0.0804 0.0804
Echinococcus multilocularis alpha 1A adrenergic receptor 0.027 0.0804 0.0804
Echinococcus granulosus g-protein coupled receptor 0.027 0.0804 0.0804
Echinococcus granulosus alpha 1A adrenergic receptor 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptide receptor A26 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine receptor 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptide receptor 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine (5HT) receptor 0.2018 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.027 0.0804 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptide receptor 0.027 0.0804 0.0804
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptides capa receptor 0.027 0.0804 0.0804
Leishmania major C-8 sterol isomerase-like protein 0.0754 0.3349 0.5
Onchocerca volvulus 0.027 0.0804 0.5
Schistosoma mansoni adenoreceptor 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptide Y receptor 0.027 0.0804 0.0804
Echinococcus granulosus sex peptide receptor 0.027 0.0804 0.0804
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.027 0.0804 0.0804
Echinococcus multilocularis fmrfamide receptor 0.027 0.0804 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus granulosus tm gpcr rhodopsin 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Loa Loa (eye worm) hypothetical protein 0.2018 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.027 0.0804 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.027 0.0804 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus granulosus somatostatin receptor 0.027 0.0804 0.0804
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.027 0.0804 0.0804
Echinococcus granulosus allatostatin A receptor 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptides capa receptor 0.027 0.0804 0.0804
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.027 0.0804 0.0804
Echinococcus multilocularis sex peptide receptor 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.027 0.0804 0.0804
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0754 0.3349 0.3586
Schistosoma mansoni alpha-1 adrenergic receptor 0.027 0.0804 0.0804
Schistosoma mansoni neuropeptide F-like receptor 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine (5HT) receptor 0.027 0.0804 0.0804
Echinococcus multilocularis serotonin receptor 0.2018 1 1
Schistosoma mansoni opsin-like receptor 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.027 0.0804 0.0804
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1333 0.6399 1
Loa Loa (eye worm) hypothetical protein 0.2018 1 1
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.027 0.0804 0.0804
Echinococcus multilocularis fmrfamide receptor 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.027 0.0804 0.0804
Echinococcus granulosus tm gpcr rhodopsin 0.027 0.0804 0.0804
Schistosoma mansoni amine GPCR 0.027 0.0804 0.0804
Echinococcus granulosus hypothetical protein 0.027 0.0804 0.0804
Loa Loa (eye worm) hypothetical protein 0.0754 0.3349 0.2767
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus multilocularis g protein coupled receptor 0.027 0.0804 0.0804
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.027 0.0804 0.0804
Echinococcus granulosus g protein coupled receptor 0.027 0.0804 0.0804
Loa Loa (eye worm) hypothetical protein 0.0385 0.1411 0.066
Schistosoma mansoni hypothetical protein 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptide FF receptor 2 0.027 0.0804 0.0804
Echinococcus multilocularis G protein coupled receptor 139 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptide receptor 0.027 0.0804 0.0804
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine receptor 0.027 0.0804 0.0804
Echinococcus multilocularis biogenic amine (5HT) receptor 0.027 0.0804 0.0804
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.027 0.0804 0.0804
Echinococcus granulosus orexin receptor type 2 0.027 0.0804 0.0804
Schistosoma mansoni myosin xvIII 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.027 0.0804 0.0804
Echinococcus granulosus biogenic amine 5HT receptor 0.027 0.0804 0.0804
Echinococcus granulosus 7TM GPCR rhodopsin 0.027 0.0804 0.0804
Trypanosoma brucei C-8 sterol isomerase, putative 0.0754 0.3349 0.5
Schistosoma mansoni neuropeptide receptor 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine receptor 0.027 0.0804 0.0804
Schistosoma mansoni biogenic amine (dopamine) receptor 0.027 0.0804 0.0804
Schistosoma mansoni neuropeptide F-like receptor 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptides capa receptor 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni neuropeptide receptor 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni amine GPCR 0.027 0.0804 0.0804
Echinococcus granulosus serotonin receptor 0.027 0.0804 0.0804
Schistosoma mansoni hypothetical protein 0.027 0.0804 0.0804
Echinococcus granulosus g protein coupled receptor 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.027 0.0804 0.0804
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.027 0.0804 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Echinococcus granulosus G protein coupled receptor 139 0.027 0.0804 0.0804
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.027 0.0804 0.0804
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis somatostatin receptor 0.027 0.0804 0.0804
Echinococcus granulosus fmrfamide receptor 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Schistosoma mansoni growth hormone secretagogue receptor 0.027 0.0804 0.0804
Plasmodium vivax glutathione S-transferase, putative 0.0117 0 0.5
Onchocerca volvulus 0.027 0.0804 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0754 0.3349 0.5
Echinococcus granulosus neuropeptide receptor 0.027 0.0804 0.0804
Schistosoma mansoni amine GPCR 0.1937 0.9574 0.9574
Schistosoma mansoni amine GPCR 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Echinococcus granulosus thymidine phosphorylase 0.1333 0.6399 0.6399
Echinococcus granulosus rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis tachykinin peptides receptor 99D 0.027 0.0804 0.0804
Echinococcus multilocularis neuropeptides capa receptor 0.027 0.0804 0.0804
Echinococcus granulosus dro:myosuppressin receptor 0.027 0.0804 0.0804
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.027 0.0804 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Onchocerca volvulus 0.027 0.0804 0.5
Schistosoma mansoni neuropeptide receptor 0.027 0.0804 0.0804
Echinococcus granulosus neuropeptide Y receptor 0.027 0.0804 0.0804
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0376 0.1364 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Schistosoma mansoni hypothetical protein 0.027 0.0804 0.0804
Schistosoma mansoni rhodopsin-like orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Onchocerca volvulus 0.027 0.0804 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.027 0.0804 0.0804
Schistosoma mansoni opsin-like receptor 0.027 0.0804 0.0804
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.027 0.0804 0.0804
Schistosoma mansoni neuropeptide f receptor 76f 0.027 0.0804 0.0804
Echinococcus granulosus 7tm_1 domain containing protein 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804
Echinococcus multilocularis rhodopsin orphan GPCR 0.027 0.0804 0.0804

Activities

Activity type Activity value Assay description Source Reference
Log 1/IC50 (functional) = 2.9 Compound was tested against gram-negative Caulobacter crescentus, strain NA 1000 bacteria ChEMBL. 11606132
Log 1/IC50 (functional) = 3.94 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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