Detailed information for compound 254607

Basic information

Technical information
  • TDR Targets ID: 254607
  • Name: 6-[3-(1-adamantyl)-4-hexoxyphenyl]naphthalene -2-carboxylic acid
  • MW: 482.653 | Formula: C33H38O3
  • H donors: 1 H acceptors: 2 LogP: 10.03 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCOc1ccc(cc1C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)ccc(c2)C(=O)O
  • InChi: 1S/C33H38O3/c1-2-3-4-5-12-36-31-11-10-28(26-6-7-27-17-29(32(34)35)9-8-25(27)16-26)18-30(31)33-19-22-13-23(20-33)15-24(14-22)21-33/h6-11,16-18,22-24H,2-5,12-15,19-21H2,1H3,(H,34,35)
  • InChiKey: BCLMUIMQCLRLNV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-[3-(1-adamantyl)-4-hexoxy-phenyl]naphthalene-2-carboxylic acid
  • 6-[3-(1-adamantyl)-4-hexoxyphenyl]-2-naphthalenecarboxylic acid
  • 6-[3-(1-adamantyl)-4-hexoxy-phenyl]-2-naphthoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens retinoic acid receptor, beta Starlite/ChEMBL References
Homo sapiens retinoic acid receptor, alpha Starlite/ChEMBL References
Homo sapiens retinoic acid receptor, gamma Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi nuclear hormone receptor Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) nuclear receptor nhr-7B Get druggable targets OG5_131607 All targets in OG5_131607
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131607 All targets in OG5_131607
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog Get druggable targets OG5_131607 All targets in OG5_131607
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 rhodopsin orphan GPCR 0.004 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0787 0.9747 1
Echinococcus multilocularis somatostatin receptor 0.004 0 0.5
Echinococcus multilocularis dro:myosuppressin receptor 0.004 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.004 0 0.5
Echinococcus granulosus orexin receptor type 2 0.004 0 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.004 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.004 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.004 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.004 0 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.004 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.004 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis neuropeptide receptor 0.004 0 0.5
Echinococcus multilocularis serotonin receptor 0.004 0 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus granulosus somatostatin receptor 0.004 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.004 0 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.004 0 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.004 0 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.004 0 0.5
Echinococcus multilocularis serotonin receptor 0.004 0 0.5
Echinococcus multilocularis alpha 1A adrenergic receptor 0.004 0 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.004 0 0.5
Echinococcus granulosus g protein coupled receptor 0.004 0 0.5
Echinococcus granulosus G protein coupled receptor 139 0.004 0 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.004 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis orexin receptor type 2 0.004 0 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.004 0 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.004 0 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.004 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.004 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.004 0 0.5
Echinococcus granulosus peptide allatostatin:somatostatin 0.004 0 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.004 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.004 0 0.5
Echinococcus granulosus neuropeptides capa receptor 0.004 0 0.5
Echinococcus granulosus neuropeptide receptor 0.004 0 0.5
Echinococcus granulosus neuropeptide s receptor 0.004 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0769 0.9522 0.9769
Echinococcus granulosus 7TM GPCR rhodopsin 0.004 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.004 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.004 0 0.5
Echinococcus multilocularis neuropeptide s receptor 0.004 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.004 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.004 0 0.5
Echinococcus multilocularis g protein coupled receptor 0.004 0 0.5
Schistosoma mansoni amine GPCR 0.075 0.9275 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.004 0 0.5
Echinococcus granulosus allatostatin A receptor 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus granulosus g protein coupled receptor 0.004 0 0.5
Echinococcus granulosus hypothetical protein 0.004 0 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.004 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus granulosus g protein coupled receptor 0.004 0 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.004 0 0.5
Echinococcus granulosus sex peptide receptor 0.004 0 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.004 0 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.004 0 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.004 0 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.004 0 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.004 0 0.5
Echinococcus granulosus neuropeptide receptor 0.004 0 0.5
Echinococcus multilocularis sex peptide receptor 0.004 0 0.5
Echinococcus multilocularis fmrfamide receptor 0.004 0 0.5
Echinococcus granulosus g-protein coupled receptor 0.004 0 0.5
Echinococcus granulosus neuropeptide Y receptor 0.004 0 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.004 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.004 0 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.004 0 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.004 0 0.5
Brugia malayi nuclear hormone receptor 0.0787 0.9747 1
Echinococcus granulosus tm gpcr rhodopsin 0.004 0 0.5
Echinococcus granulosus fmrfamide receptor 0.004 0 0.5
Echinococcus multilocularis allatostatin A receptor 0.004 0 0.5
Echinococcus multilocularis g-protein coupled receptor 0.004 0 0.5
Echinococcus granulosus serotonin receptor 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.004 0 0.5
Echinococcus granulosus neuropeptide receptor A26 0.004 0 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.004 0 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.004 0 0.5

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) 0 nM Compound was evaluated for its inhibitory activity against F9 murine teratocarcinoma cell differentiation; NA=not active ChEMBL. 8544175
Ki (binding) > 10000 nM Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) > 10000 nM Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) > 10000 nM Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) > 10000 nM Binding affinity to retinoic acid receptor alpha using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) > 10000 nM Binding affinity to retinoic acid receptor beta using [3H]-CD 367 as radioligand ChEMBL. 8544175
Ki (binding) > 10000 nM Binding affinity to retinoic acid receptor (RAR) gamma using [3H]-CD 367 as radioligand ChEMBL. 8544175

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.