Detailed information for compound 944362

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 507.512 | Formula: C26H21NO8S
  • H donors: 2 H acceptors: 6 LogP: 4.3 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1c(C(=O)CSc2nc3c(o2)cccc3)c2OC3=CC(=C(C(=O)[C@]3(c2c(c1C)O)C)C(=O)C)O
  • InChi: 1S/C26H21NO8S/c1-11-21(31)20-23(35-17-9-14(29)18(12(2)28)24(32)26(17,20)3)19(22(11)33-4)15(30)10-36-25-27-13-7-5-6-8-16(13)34-25/h5-9,29,31H,10H2,1-4H3/t26-/m1/s1
  • InChiKey: VIIKBGOIFOMJMM-AREMUKBSSA-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
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0036 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0036 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0036 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0036 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.0036 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0036 0 0.5
Schistosoma mansoni opsin-like receptor 0.0036 0 0.5
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0119 1 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0036 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0036 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0036 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0036 0 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0036 0 0.5
Echinococcus granulosus hypothetical protein 0.0036 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0036 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0036 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0036 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0036 0 0.5
Echinococcus granulosus serotonin receptor 0.0036 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus multilocularis serotonin receptor 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0036 0 0.5
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0119 1 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0036 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0036 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0036 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0036 0 0.5
Schistosoma mansoni amine GPCR 0.0036 0 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.0036 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0036 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0036 0 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0036 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0036 0 0.5
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0119 1 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0036 0 0.5
Schistosoma mansoni adenoreceptor 0.0036 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0036 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0036 0 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0036 0 0.5
Echinococcus multilocularis serotonin receptor 0.0036 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0036 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0036 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0036 0 0.5
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0119 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0036 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0036 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0036 0 0.5
Echinococcus granulosus sex peptide receptor 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0036 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0036 0 0.5
Schistosoma mansoni myosin xvIII 0.0036 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0036 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0036 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0036 0 0.5
Schistosoma mansoni opsin-like receptor 0.0036 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0036 0 0.5
Echinococcus granulosus somatostatin receptor 0.0036 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0036 0 0.5
Schistosoma mansoni amine GPCR 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0036 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0036 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0036 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0036 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0036 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0036 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0036 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0036 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0036 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0036 0 0.5
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0119 1 0.5
Schistosoma mansoni amine GPCR 0.0036 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0036 0 0.5
Brugia malayi Cytochrome P450 family protein 0.005 0.1629 1
Schistosoma mansoni amine GPCR 0.0036 0 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0036 0 0.5
Schistosoma mansoni hypothetical protein 0.0036 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0036 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0036 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0036 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0036 0 0.5
Schistosoma mansoni histamine h1 receptor 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0036 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0036 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0036 0 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0036 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0036 0 0.5
Schistosoma mansoni amine GPCR 0.0036 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0036 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0036 0 0.5
Schistosoma mansoni opsin-like receptor 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0036 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0036 0 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.005 0.1629 1
Onchocerca volvulus 0.0036 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0036 0 0.5
Mycobacterium leprae HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE 0.0096 0.7155 0.5
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0119 1 0.5
Onchocerca volvulus 0.0036 0 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0036 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0036 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0036 0 0.5
Onchocerca volvulus 0.0036 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0036 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0036 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0036 0 0.5
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0036 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0036 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0036 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0036 0 0.5
Schistosoma mansoni biogenic amine receptor 0.0036 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0036 0 0.5

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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