Detailed information for compound 1527547

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.504 | Formula: C22H34O3
  • H donors: 0 H acceptors: 1 LogP: 7.89 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCC=Cc1cccc(c1C(=O)OCC)OC
  • InChi: 1S/C22H34O3/c1-4-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(24-3)21(19)22(23)25-5-2/h14-18H,4-13H2,1-3H3
  • InChiKey: HOCMCSIRMYBAHA-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
Giardia lamblia Nitric oxide synthase, inducible 0.0067 0.276 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0142 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0142 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0075 0.358 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0075 0.358 1
Echinococcus granulosus neuropeptide Y receptor 0.0142 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0142 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide Y 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
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis 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
Brugia malayi neuropeptide F receptor 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Brugia malayi Serotonin receptor 0.0142 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0142 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0142 1 1
Brugia malayi G-protein coupled receptor 0.0142 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0075 0.358 0.5
Schistosoma mansoni hypothetical protein 0.0142 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0142 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0142 1 1
Schistosoma mansoni hypothetical protein 0.0142 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0142 1 1
Echinococcus multilocularis g protein coupled receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide 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
Echinococcus multilocularis g protein coupled receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni hypothetical protein 0.0142 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 1 1
Echinococcus multilocularis sex peptide receptor 0.0142 1 1
Schistosoma mansoni biogenic amine receptor 0.0142 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0075 0.358 0.5
Schistosoma mansoni amine GPCR 0.0142 1 1
Echinococcus multilocularis serotonin receptor 0.0142 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0142 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0142 1 1
Schistosoma mansoni amine GPCR 0.0142 1 1
Brugia malayi Melatonin receptor type 1A 0.0142 1 1
Echinococcus granulosus hypothetical protein 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0142 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0142 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0075 0.358 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0142 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0142 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0142 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni biogenic amine receptor 0.0142 1 1
Echinococcus granulosus fmrfamide receptor 0.0142 1 1
Schistosoma mansoni amine GPCR 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 hypothetical protein 0.0142 1 1
Echinococcus granulosus neuropeptide receptor 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 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 0.0142 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0075 0.358 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0142 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0142 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0142 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0142 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Brugia malayi GnHR receptor homolog 0.0142 1 1
Echinococcus granulosus g protein coupled 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 myosin xvIII 0.0142 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0142 1 1
Schistosoma mansoni hypothetical protein 0.0142 1 1
Echinococcus multilocularis fmrfamide receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 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
Brugia malayi hypothetical protein 0.0142 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0142 1 1
Schistosoma mansoni opsin-like receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0142 1 1
Echinococcus granulosus neuropeptide s receptor 0.0142 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0142 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus g protein coupled 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) G-protein coupled receptor 0.0142 1 1
Leishmania major p450 reductase, putative 0.0075 0.358 1
Onchocerca volvulus 0.0142 1 0.5
Loa Loa (eye worm) hypothetical protein 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 g protein linked acetylcholine receptor gar 2a 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Brugia malayi neuropeptide F receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0142 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide receptor 0.0142 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0075 0.358 0.5
Echinococcus multilocularis allatostatin A receptor 0.0142 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0142 1 1
Brugia malayi Serotonin receptor 0.0142 1 1
Echinococcus granulosus allatostatin A receptor 0.0142 1 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0075 0.358 0.3006
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0142 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Loa Loa (eye worm) hypothetical protein 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
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0142 1 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0075 0.358 0.5
Brugia malayi sulfakinin receptor protein 0.0142 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0075 0.358 0.358
Brugia malayi hypothetical protein 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
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0142 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Giardia lamblia Hypothetical protein 0.0067 0.276 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0142 1 1
Brugia malayi Dopamine receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0142 1 1
Brugia malayi G protein-coupled receptor 0.0142 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0142 1 1
Brugia malayi putative neuropeptide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus g-protein coupled receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis somatostatin receptor 0.0142 1 1
Schistosoma mansoni biogenic amine receptor 0.0142 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0046 0.082 0.082
Brugia malayi RE15519p 0.0142 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0075 0.358 0.3006
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0142 1 1
Schistosoma mansoni opsin-like 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 rhodopsin-like orphan GPCR 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0142 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0142 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 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 neuropeptide F-like receptor 0.0142 1 1
Echinococcus granulosus sex peptide receptor 0.0142 1 1
Trypanosoma cruzi p450 reductase, putative 0.0075 0.358 0.5
Schistosoma mansoni adenoreceptor 0.0142 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0075 0.358 0.3006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0142 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0142 1 1
Brugia malayi AKH receptor 0.0142 1 1
Brugia malayi G-protein coupled receptor 0.0142 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Schistosoma mansoni opsin-like receptor 0.0142 1 1
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0075 0.358 0.5
Loa Loa (eye worm) hypothetical protein 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 neuropeptides capa receptor 0.0142 1 1
Echinococcus multilocularis fmrfamide receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0142 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0142 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.358 0.3006
Schistosoma mansoni histamine h1 receptor 0.0142 1 1
Echinococcus multilocularis orexin receptor type 2 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi ORL1-like opioid receptor 0.0142 1 1
Echinococcus multilocularis g protein coupled receptor 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Brugia malayi FAD binding domain containing protein 0.0075 0.358 0.3006
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0142 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0142 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Brugia malayi larval opioid receptor 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0075 0.358 0.3006
Echinococcus multilocularis serotonin receptor 0.0142 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0142 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus granulosus somatostatin receptor 0.0142 1 1
Brugia malayi follicle stimulating hormone receptor 0.0142 1 1
Echinococcus granulosus serotonin receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0142 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Brugia malayi Dopamine receptor protein 1 0.0142 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0142 1 1
Chlamydia trachomatis sulfite reductase 0.0046 0.082 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0142 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0142 1 1
Onchocerca volvulus 0.0142 1 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0142 1 1
Brugia malayi Dopamine receptor protein 2 0.0142 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0142 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0142 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0142 1 1
Brugia malayi hypothetical protein 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0075 0.358 0.5
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0075 0.358 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 1 1
Schistosoma mansoni neuropeptide receptor 0.0142 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0142 1 1
Loa Loa (eye worm) hypothetical protein 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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