Detailed information for compound 924852

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.424 | Formula: C19H28O3
  • H donors: 0 H acceptors: 1 LogP: 6.26 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC=Cc1cccc(c1C(=O)OCC)OC
  • InChi: 1S/C19H28O3/c1-4-6-7-8-9-10-11-13-16-14-12-15-17(21-3)18(16)19(20)22-5-2/h11-15H,4-10H2,1-3H3
  • InChiKey: XCCGGEPEBJAUBK-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
Onchocerca volvulus 0.0142 1 0.5
Schistosoma mansoni opsin-like receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus g protein coupled receptor 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0142 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Brugia malayi Serotonin receptor 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0142 1 1
Brugia malayi FAD binding domain containing protein 0.0075 0.358 0.3006
Schistosoma mansoni neuropeptide F-like receptor 0.0142 1 1
Brugia malayi ORL1-like opioid receptor 0.0142 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0142 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0142 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0142 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0142 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0142 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Schistosoma mansoni biogenic amine receptor 0.0142 1 1
Echinococcus multilocularis somatostatin receptor 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Schistosoma mansoni biogenic amine receptor 0.0142 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0075 0.358 0.3006
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0075 0.358 0.5
Brugia malayi AKH receptor 0.0142 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0142 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0075 0.358 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus somatostatin receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0142 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0142 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.0142 1 0.5
Schistosoma mansoni biogenic amine receptor 0.0142 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0075 0.358 0.358
Brugia malayi hypothetical protein 0.0142 1 1
Giardia lamblia Hypothetical protein 0.0067 0.276 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0142 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0075 0.358 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0075 0.358 0.3006
Echinococcus granulosus serotonin receptor 0.0142 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 1 1
Echinococcus granulosus hypothetical protein 0.0142 1 1
Echinococcus granulosus neuropeptide receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus multilocularis orexin receptor type 2 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Chlamydia trachomatis sulfite reductase 0.0046 0.082 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0142 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0142 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Giardia lamblia Nitric oxide synthase, inducible 0.0067 0.276 0.5
Schistosoma mansoni histamine h1 receptor 0.0142 1 1
Echinococcus multilocularis allatostatin A receptor 0.0142 1 1
Echinococcus granulosus allatostatin A receptor 0.0142 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0142 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 1 1
Echinococcus granulosus g-protein coupled receptor 0.0142 1 1
Echinococcus multilocularis serotonin receptor 0.0142 1 1
Echinococcus multilocularis g protein coupled receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi neuropeptide F receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0142 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0142 1 1
Echinococcus multilocularis sex peptide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni hypothetical protein 0.0142 1 1
Brugia malayi Dopamine receptor protein 1 0.0142 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Schistosoma mansoni opsin-like receptor 0.0142 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0142 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0075 0.358 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0075 0.358 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0142 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 1 1
Brugia malayi sulfakinin receptor protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0075 0.358 0.5
Brugia malayi G-protein coupled receptor 0.0142 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0142 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0075 0.358 1
Echinococcus multilocularis neuropeptide receptor A26 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis g protein coupled receptor 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi neuropeptide F receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis neuropeptide receptor 0.0142 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis fmrfamide receptor 0.0142 1 1
Echinococcus granulosus g protein coupled receptor 0.0142 1 1
Schistosoma mansoni adenoreceptor 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0142 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 1 1
Brugia malayi G protein-coupled receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus fmrfamide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus orexin receptor type 2 0.0142 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0142 1 1
Brugia malayi Dopamine receptor protein 2 0.0142 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0142 1 1
Brugia malayi Dopamine receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni myosin xvIII 0.0142 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0142 1 1
Brugia malayi larval opioid receptor 0.0142 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0142 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0142 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0142 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0075 0.358 0.5
Onchocerca volvulus 0.0142 1 0.5
Echinococcus multilocularis serotonin receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0075 0.358 0.3006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0075 0.358 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0075 0.358 0.3006
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0142 1 1
Echinococcus multilocularis fmrfamide receptor 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis g protein coupled receptor 0.0142 1 1
Brugia malayi putative neuropeptide receptor 0.0142 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0142 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0142 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0142 1 1
Brugia malayi follicle stimulating hormone receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Brugia malayi hypothetical protein 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0142 1 1
Brugia malayi GnHR receptor homolog 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0142 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0142 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0142 1 0.5
Leishmania major p450 reductase, putative 0.0075 0.358 1
Trypanosoma cruzi p450 reductase, putative 0.0075 0.358 0.5
Onchocerca volvulus 0.0142 1 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0075 0.358 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0142 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi RE15519p 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi flavodoxin family protein 0.0075 0.358 0.3006
Schistosoma mansoni hypothetical protein 0.0142 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0046 0.082 0.082
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Brugia malayi G-protein coupled receptor 0.0142 1 1
Schistosoma mansoni hypothetical protein 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Schistosoma mansoni opsin-like receptor 0.0142 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0142 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0142 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0142 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0142 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.358 0.3006
Onchocerca volvulus 0.0142 1 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0075 0.358 0.3006
Echinococcus granulosus 7tm_1 domain containing protein 0.0142 1 1
Brugia malayi Melatonin receptor type 1A 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Brugia malayi Serotonin receptor 0.0142 1 1
Echinococcus granulosus neuropeptide s receptor 0.0142 1 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0075 0.358 0.5
Echinococcus granulosus g protein coupled receptor 0.0142 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0075 0.358 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0142 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0142 1 1
Echinococcus granulosus sex peptide receptor 0.0142 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0142 1 1
Schistosoma mansoni hypothetical protein 0.0142 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0142 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0142 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 300 uM Inhibition of Trypanosoma cruzi recombinant glycosomal GAPDH expressed in Escherichia coli using GAPDH and D-glyceraldehyde-3-phosphate ChEMBL. 18789702

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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