Detailed information for compound 53498

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.498 | Formula: C23H31NO
  • H donors: 0 H acceptors: 0 LogP: 4.89 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)C13CCN(C(C2)C3CCC(=C)C1)CC1CCC1
  • InChi: 1S/C23H31NO/c1-16-6-9-20-22-12-18-7-8-19(25-2)13-21(18)23(20,14-16)10-11-24(22)15-17-4-3-5-17/h7-8,13,17,20,22H,1,3-6,9-12,14-15H2,2H3
  • InChiKey: BTALPKCJJIAODE-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
Echinococcus granulosus g protein coupled receptor 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.163 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.163 1 1
Echinococcus granulosus g-protein coupled receptor 0.163 1 1
Schistosoma mansoni neuropeptide receptor 0.163 1 1
Schistosoma mansoni myosin xvIII 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Brugia malayi neuropeptide F receptor 0.163 1 1
Brugia malayi ORL1-like opioid receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.163 1 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.163 1 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.163 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.163 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.163 1 1
Brugia malayi AKH receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.163 1 1
Schistosoma mansoni amine GPCR 0.163 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.163 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis neuropeptide s receptor 0.163 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.163 1 1
Brugia malayi G-protein coupled receptor 0.163 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.163 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0098 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Brugia malayi G protein-coupled receptor 0.163 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.163 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.163 1 1
Brugia malayi Serotonin receptor 0.163 1 1
Echinococcus multilocularis serotonin receptor 0.163 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.163 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.163 1 0.5
Echinococcus multilocularis g protein coupled receptor 0.163 1 1
Echinococcus granulosus fmrfamide receptor 0.163 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.163 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Brugia malayi Dopamine receptor 0.163 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.163 1 1
Brugia malayi putative neuropeptide receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0098 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Echinococcus multilocularis fmrfamide receptor 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.163 1 1
Echinococcus granulosus g protein coupled receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Echinococcus granulosus sex peptide receptor 0.163 1 1
Mycobacterium ulcerans secreted antigen 85-C FbpC 0.0848 0.49 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus neuropeptides capa receptor 0.163 1 1
Echinococcus granulosus g protein coupled receptor 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Brugia malayi Dopamine receptor protein 2 0.163 1 1
Echinococcus multilocularis allatostatin A receptor 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.163 1 1
Schistosoma mansoni adenoreceptor 0.163 1 1
Brugia malayi hypothetical protein 0.0134 0.0241 0.0234
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Onchocerca volvulus 0.163 1 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Echinococcus multilocularis orexin receptor type 2 0.163 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.163 1 1
Schistosoma mansoni opsin-like receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.163 1 1
Echinococcus multilocularis sex peptide receptor 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Echinococcus granulosus neuropeptide receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus neuropeptide receptor 0.163 1 1
Schistosoma mansoni amine GPCR 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni amine GPCR 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis somatostatin receptor 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Brugia malayi neuropeptide F receptor 0.163 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.163 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.163 1 1
Echinococcus granulosus orexin receptor type 2 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0098 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Mycobacterium tuberculosis Secreted antigen 85-C FbpC (85C) (antigen 85 complex C) (AG58C) (mycolyl transferase 85C) (fibronectin-binding protein C) 0.0848 0.49 0.5
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0117 0.0127 0.012
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis g protein coupled receptor 0.163 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.163 1 1
Loa Loa (eye worm) TYRA-2 protein 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Schistosoma mansoni amine GPCR 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.163 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.163 1 1
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.028 0.1194 0.1188
Brugia malayi gonadotropin-releasing hormone receptor 2 0.163 1 1
Schistosoma mansoni neuropeptide receptor 0.163 1 1
Brugia malayi sulfakinin receptor protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis serotonin receptor 0.163 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.163 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.163 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.163 1 1
Echinococcus granulosus hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus neuropeptide s receptor 0.163 1 1
Echinococcus granulosus neuropeptide receptor A26 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Echinococcus multilocularis g protein coupled receptor 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Echinococcus multilocularis fmrfamide receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.163 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.163 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.163 1 1
Schistosoma mansoni histamine h1 receptor 0.163 1 1
Echinococcus granulosus somatostatin receptor 0.163 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.163 1 1
Brugia malayi Dopamine receptor protein 1 0.163 1 1
Mycobacterium leprae SECRETED ANTIGEN 85-C FBPC (85C) (ANTIGEN 85 COMPLEX C) (AG58C) (MYCOLYL TRANSFERASE 85C) (FIBRONECTIN-BINDING PROTEIN C) 0.0848 0.49 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0098 0.0007 0.0007
Schistosoma mansoni biogenic amine receptor 0.163 1 1
Brugia malayi Serotonin receptor 0.163 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Entamoeba histolytica protein kinase, putative 0.0098 0.0007 0.5
Echinococcus granulosus G protein coupled receptor 139 0.163 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.163 1 1
Schistosoma mansoni hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0241 0.0241
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.163 1 1
Brugia malayi hypothetical protein 0.163 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.163 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Schistosoma mansoni biogenic amine receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.163 1 1
Schistosoma mansoni hypothetical protein 0.163 1 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0098 0.0007 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.163 1 1
Schistosoma mansoni amine GPCR 0.163 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Onchocerca volvulus 0.163 1 0.5
Onchocerca volvulus 0.163 1 0.5
Brugia malayi hypothetical protein 0.163 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.163 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.163 1 1
Echinococcus granulosus allatostatin A receptor 0.163 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.163 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.163 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.0252 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.0134 0.0241 0.0241
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.028 0.1194 0.1188
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.163 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.163 1 1
Schistosoma mansoni neuropeptide receptor 0.163 1 1
Brugia malayi follicle stimulating hormone receptor 0.163 1 1
Brugia malayi larval opioid receptor 0.163 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.163 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.163 1 1
Echinococcus granulosus neuropeptide Y receptor 0.163 1 1
Onchocerca volvulus 0.163 1 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Brugia malayi G-protein coupled receptor 0.163 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.163 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.163 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.163 1 1
Echinococcus granulosus neuropeptides capa receptor 0.163 1 1
Brugia malayi RE15519p 0.163 1 1
Schistosoma mansoni opsin-like receptor 0.163 1 1
Echinococcus granulosus neuropeptide Y receptor 0.163 1 1
Brugia malayi Amyloid A4 extracellular domain containing protein 0.032 0.1452 0.1447
Echinococcus multilocularis neuropeptide receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.028 0.1194 0.1194
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.028 0.1194 0.1188
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Brugia malayi Melatonin receptor type 1A 0.163 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.163 1 1
Schistosoma mansoni opsin-like receptor 0.163 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.163 1 1
Schistosoma mansoni biogenic amine receptor 0.163 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Schistosoma mansoni neuropeptide receptor 0.163 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.163 1 1
Brugia malayi GnHR receptor homolog 0.163 1 1
Entamoeba histolytica hypothetical protein 0.0098 0.0007 0.5
Entamoeba histolytica protein kinase, putative 0.0098 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0249 0.0249
Echinococcus multilocularis rhodopsin orphan GPCR 0.163 1 1
Echinococcus granulosus serotonin receptor 0.163 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.163 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.163 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.163 1 1
Schistosoma mansoni hypothetical protein 0.163 1 1
Echinococcus multilocularis g-protein coupled receptor 0.163 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0098 0.0007 0.5
Echinococcus multilocularis neuropeptide receptor 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Loa Loa (eye worm) hypothetical protein 0.163 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.163 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.163 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 3.2 uM kg-1 Inhibition of acetic acid induced mouse writhing assay following s.c. administration. ChEMBL. 6796691
ED50 (functional) > 20 uM kg-1 Inhibition of morphine analgesia in modified rat tail flick test. ChEMBL. 6796691

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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