Detailed information for compound 456908

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 490.587 | Formula: C30H34O6
  • H donors: 0 H acceptors: 1 LogP: 4.48 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)O[C@H]1[C@H](C)O[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)COCc1ccccc1
  • InChi: 1S/C30H34O6/c1-22-28(36-23(2)31)30(34-20-26-16-10-5-11-17-26)29(33-19-25-14-8-4-9-15-25)27(35-22)21-32-18-24-12-6-3-7-13-24/h3-17,22,27-30H,18-21H2,1-2H3/t22-,27+,28-,29+,30+/m0/s1
  • InChiKey: PSWLGQCTJQNUOP-DIWVWYSSSA-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
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.1375 1 1
Schistosoma mansoni amine GPCR 0.1375 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.1375 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1375 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.1375 1 1
Schistosoma mansoni neuropeptide receptor 0.1375 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.1375 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1375 1 1
Schistosoma mansoni hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis allatostatin A receptor 0.1375 1 1
Brugia malayi Dopamine receptor protein 2 0.1375 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0424 0.1745 0.5
Echinococcus multilocularis sex peptide receptor 0.1375 1 1
Schistosoma mansoni opsin-like receptor 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Schistosoma mansoni biogenic amine receptor 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1375 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Toxoplasma gondii IMP dehydrogenas 0.0424 0.1745 0.5
Onchocerca volvulus 0.1375 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1375 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni hypothetical protein 0.1375 1 1
Leishmania major inosine-5-monophosphate dehydrogenase 0.0424 0.1745 0.5
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.1375 1 1
Brugia malayi Melatonin receptor type 1A 0.1375 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Brugia malayi RE15519p 0.1375 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1375 1 1
Brugia malayi sulfakinin receptor protein 0.1375 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.1375 1 1
Echinococcus granulosus G protein coupled receptor 139 0.1375 1 1
Brugia malayi follicle stimulating hormone receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.1375 1 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.1375 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1375 1 1
Echinococcus granulosus somatostatin receptor 0.1375 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.1375 1 1
Brugia malayi neuropeptide F receptor 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0424 0.1745 0.2866
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0424 0.1745 0.5
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Trypanosoma brucei GMP reductase 0.0424 0.1745 0.5
Echinococcus granulosus hypothetical protein 0.1375 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.1375 1 1
Brugia malayi G protein-coupled receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni amine GPCR 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Echinococcus multilocularis g protein coupled receptor 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Schistosoma mansoni opsin-like receptor 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.1375 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1375 1 1
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0398 0.1527 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.1375 1 1
Brugia malayi Serotonin receptor 0.1375 1 1
Schistosoma mansoni neuropeptide receptor 0.1375 1 1
Schistosoma mansoni histamine h1 receptor 0.1375 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.1375 1 0.5
Onchocerca volvulus 0.1375 1 0.5
Onchocerca volvulus 0.1375 1 0.5
Brugia malayi Serotonin receptor 0.1375 1 1
Echinococcus multilocularis neuropeptide s receptor 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.1375 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.1375 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0424 0.1745 0.5
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.1375 1 1
Echinococcus granulosus orexin receptor type 2 0.1375 1 1
Echinococcus granulosus neuropeptide receptor A26 0.1375 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.1375 1 1
Echinococcus granulosus neuropeptides capa receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis g protein coupled receptor 0.1375 1 1
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0424 0.1745 0.5
Echinococcus granulosus neuropeptides capa receptor 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Schistosoma mansoni amine GPCR 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Echinococcus multilocularis serotonin receptor 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Brugia malayi Dopamine receptor 0.1375 1 1
Echinococcus granulosus allatostatin A receptor 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0924 0.6088 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0398 0.1527 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.1375 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.1375 1 1
Brugia malayi G-protein coupled receptor 0.1375 1 1
Echinococcus multilocularis orexin receptor type 2 0.1375 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1375 1 1
Brugia malayi larval opioid receptor 0.1375 1 1
Schistosoma mansoni neuropeptide receptor 0.1375 1 1
Trypanosoma cruzi GMP reductase 0.0424 0.1745 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.1375 1 1
Echinococcus granulosus g protein coupled receptor 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Trypanosoma cruzi GMP reductase 0.0424 0.1745 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.1375 1 1
Brugia malayi GnHR receptor homolog 0.1375 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis fmrfamide receptor 0.1375 1 1
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0424 0.1745 0.2866
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0924 0.6088 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Schistosoma mansoni opsin-like receptor 0.1375 1 1
Echinococcus granulosus g protein coupled receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.1375 1 1
Echinococcus granulosus neuropeptide receptor 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Leishmania major guanosine monophosphate reductase 0.0424 0.1745 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.1375 1 1
Schistosoma mansoni biogenic amine receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni myosin xvIII 0.1375 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.1375 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus g protein coupled receptor 0.1375 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.1375 1 1
Schistosoma mansoni amine GPCR 0.1375 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Echinococcus multilocularis somatostatin receptor 0.1375 1 1
Schistosoma mansoni amine GPCR 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.1375 1 1
Echinococcus multilocularis fmrfamide receptor 0.1375 1 1
Brugia malayi AKH receptor 0.1375 1 1
Brugia malayi putative neuropeptide receptor 0.1375 1 1
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0424 0.1745 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.1375 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Onchocerca volvulus 0.1375 1 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.1375 1 1
Schistosoma mansoni adenoreceptor 0.1375 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.1375 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.1375 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.1375 1 1
Echinococcus granulosus fmrfamide receptor 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.1375 1 1
Echinococcus multilocularis serotonin receptor 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Echinococcus multilocularis neuropeptide receptor 0.1375 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.1375 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1375 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1375 1 1
Brugia malayi neuropeptide F receptor 0.1375 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.1375 1 1
Brugia malayi hypothetical protein 0.1375 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1375 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.1375 1 1
Echinococcus multilocularis neuropeptide receptor 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Loa Loa (eye worm) TYRA-2 protein 0.1375 1 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0424 0.1745 0.0478
Echinococcus granulosus sex peptide receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus g-protein coupled receptor 0.1375 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.1375 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0924 0.6088 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus multilocularis g protein coupled receptor 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Schistosoma mansoni neuropeptide receptor 0.1375 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.1375 1 1
Echinococcus multilocularis g-protein coupled receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus neuropeptide s receptor 0.1375 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.1375 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Schistosoma mansoni hypothetical protein 0.1375 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.1375 1 1
Brugia malayi G-protein coupled receptor 0.1375 1 1
Brugia malayi Dopamine receptor protein 1 0.1375 1 1
Schistosoma mansoni hypothetical protein 0.1375 1 1
Echinococcus granulosus neuropeptide receptor 0.1375 1 1
Brugia malayi ORL1-like opioid receptor 0.1375 1 1
Echinococcus granulosus serotonin receptor 0.1375 1 1
Schistosoma mansoni biogenic amine receptor 0.1375 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.1375 1 1
Onchocerca volvulus 0.1375 1 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.1375 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus neuropeptide Y receptor 0.1375 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.1375 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.1375 1 1
Loa Loa (eye worm) hypothetical protein 0.1375 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.1375 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.1375 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.1375 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.1375 1 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 8.8 uM Antiproliferative activity against human HOS cells by SRB assay ChEMBL. 17482817
GI50 (functional) = 8.8 uM Antiproliferative activity against human HOS cells by SRB assay ChEMBL. 17482817
GI50 (functional) > 50 uM Antiproliferative activity against human HeLa cells by SRB assay ChEMBL. 17482817
GI50 (functional) > 50 uM Antiproliferative activity against human HeLa cells by SRB assay ChEMBL. 17482817

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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