Detailed information for compound 1930861

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.611 | Formula: C26H33NO2S
  • H donors: 0 H acceptors: 0 LogP: 6.59 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(c1cccs1)c1ccc(cc1)OCCN(C(C)C)C(C)C
  • InChi: 1S/C26H33NO2S/c1-19(2)27(20(3)4)16-17-29-22-14-12-21(13-15-22)26(25-11-8-18-30-25)23-9-6-7-10-24(23)28-5/h6-15,18-20,26H,16-17H2,1-5H3
  • InChiKey: SCEMCYUKNFYCHB-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
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0044 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0044 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0044 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.0044 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0 0.5
Toxoplasma gondii PAN domain-containing protein 0.0248 0.2679 0.5
Echinococcus granulosus neuropeptide s receptor 0.0044 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0044 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0044 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0044 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0044 0 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0044 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.0044 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0804 1 1
Echinococcus granulosus sex peptide receptor 0.0044 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0044 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0044 0 0.5
Brugia malayi sulfakinin receptor protein 0.0804 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0044 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0044 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0044 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.0044 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0044 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus granulosus serotonin receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0044 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0044 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0044 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus granulosus somatostatin receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0044 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0044 0 0.5
Echinococcus granulosus hypothetical protein 0.0044 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0044 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0044 0 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0044 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0044 0 0.5
Echinococcus multilocularis somatostatin receptor 0.0044 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis sex peptide receptor 0.0044 0 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0044 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0044 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0044 0 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0098 0.0706 1
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0044 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0044 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis serotonin receptor 0.0044 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0044 0 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0098 0.0706 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0044 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0044 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0044 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0044 0 0.5
Toxoplasma gondii PAN domain-containing protein 0.0248 0.2679 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0044 0 0.5
Echinococcus granulosus fmrfamide receptor 0.0044 0 0.5
Echinococcus granulosus neuropeptide receptor 0.0044 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.0044 0 0.5
Echinococcus multilocularis serotonin receptor 0.0044 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0044 0 0.5
Echinococcus granulosus g protein coupled receptor 0.0044 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0044 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus granulosus orexin receptor type 2 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0044 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0044 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0044 0 0.5
Echinococcus granulosus allatostatin A receptor 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Onchocerca volvulus 0.0044 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0044 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.0044 0 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 25 mg/L Antimycobacterial activity against Mycobacterium tuberculosis H37Rv incubated at 37 degC for 4 weeks ChEMBL. 25828928

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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