Detailed information for compound 1813801

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 389.358 | Formula: C22H15NO6
  • H donors: 0 H acceptors: 4 LogP: 3.15 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCCC2=C1C(c1ccc(cc1)[N+](=O)[O-])c1c(O2)c2ccccc2oc1=O
  • InChi: 1S/C22H15NO6/c24-15-5-3-7-17-19(15)18(12-8-10-13(11-9-12)23(26)27)20-21(28-17)14-4-1-2-6-16(14)29-22(20)25/h1-2,4,6,8-11,18H,3,5,7H2
  • InChiKey: JLRYTXOEHBALQB-UHFFFAOYSA-N  


Substructure search Similarity search

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 Dopamine receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0131 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0131 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0131 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0131 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0131 0 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0131 0 0.5
Brugia malayi sulfakinin receptor protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0131 0 0.5
Schistosoma mansoni amine GPCR 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0131 0 0.5
Brugia malayi putative neuropeptide receptor 0.0131 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0131 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0131 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0131 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0131 0 0.5
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0185 1 0.5
Echinococcus multilocularis serotonin receptor 0.0131 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0131 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0131 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0131 0 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0131 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0131 0 0.5
Brugia malayi Dopamine receptor protein 2 0.0131 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Brugia malayi G-protein coupled receptor 0.0131 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0131 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0131 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0185 1 0.5
Brugia malayi neuropeptide F receptor 0.0131 0 0.5
Brugia malayi follicle stimulating hormone receptor 0.0131 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0131 0 0.5
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0185 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0131 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Brugia malayi ORL1-like opioid receptor 0.0131 0 0.5
Schistosoma mansoni amine GPCR 0.0131 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0131 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0131 0 0.5
Brugia malayi G-protein coupled receptor 0.0131 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0131 0 0.5
Schistosoma mansoni adenoreceptor 0.0131 0 0.5
Brugia malayi AKH receptor 0.0131 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0131 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Schistosoma mansoni hypothetical protein 0.0131 0 0.5
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0131 0 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0131 0 0.5
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0185 1 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0131 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0131 0 0.5
Brugia malayi neuropeptide F receptor 0.0131 0 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0131 0 0.5
Brugia malayi GnHR receptor homolog 0.0131 0 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0131 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0131 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0131 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0131 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0131 0 0.5
Brugia malayi Dopamine receptor protein 1 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Brugia malayi Serotonin receptor 0.0131 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0131 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0131 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0131 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0131 0 0.5
Schistosoma mansoni opsin-like receptor 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Schistosoma mansoni hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0131 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0131 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0131 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0131 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0131 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0131 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0131 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni amine GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0131 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Echinococcus granulosus hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni amine GPCR 0.0131 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0131 0 0.5
Echinococcus granulosus somatostatin receptor 0.0131 0 0.5
Brugia malayi RE15519p 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0131 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0131 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0131 0 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0131 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0131 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0131 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0131 0 0.5
Trichomonas vaginalis hypothetical protein 0.0185 1 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis serotonin receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus granulosus serotonin receptor 0.0131 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0131 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0131 0 0.5
Schistosoma mansoni opsin-like receptor 0.0131 0 0.5
Schistosoma mansoni myosin xvIII 0.0131 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Schistosoma mansoni hypothetical protein 0.0131 0 0.5
Brugia malayi larval opioid receptor 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0131 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0131 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0131 0 0.5
Brugia malayi Melatonin receptor type 1A 0.0131 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0131 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0131 0 0.5
Brugia malayi Serotonin receptor 0.0131 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.0185 1 0.5
Schistosoma mansoni amine GPCR 0.0131 0 0.5
Brugia malayi G protein-coupled receptor 0.0131 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0185 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0131 0 0.5
Schistosoma mansoni opsin-like receptor 0.0131 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0131 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0131 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0131 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0131 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0131 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0185 1 0.5
Echinococcus granulosus sex peptide receptor 0.0131 0 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0131 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0131 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0131 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0131 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0131 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0131 0 0.5
Loa Loa (eye worm) melatonin receptor type 1A 0.0131 0 0.5
Onchocerca volvulus 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0131 0 0.5
Brugia malayi hypothetical protein 0.0131 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0131 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0131 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0131 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0131 0 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0131 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM Cytotoxicity against Homo sapiens (human) Raji cells after 96 hr by MTT assay ChEMBL. No reference

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

No literature references available for this target.

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