Detailed information for compound 1024608

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.573 | Formula: C24H40O3
  • H donors: 1 H acceptors: 1 LogP: 7.4 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC(c1cc(OC)c(c(c1)OC)[C@@]1(O)CCC[C@H](C1)C)(C)C
  • InChi: 1S/C24H40O3/c1-7-8-9-10-13-23(3,4)19-15-20(26-5)22(21(16-19)27-6)24(25)14-11-12-18(2)17-24/h15-16,18,25H,7-14,17H2,1-6H3/t18-,24-/m1/s1
  • InChiKey: QRVATYZBDQGJCP-HOYKHHGWSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cannabinoid receptor 1 (brain) Starlite/ChEMBL References
Homo sapiens cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References

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
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.2631 0.2631
Toxoplasma gondii kringle domain-containing protein 0.0261 0.3128 1
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) PAN domain-containing protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.066 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.066 1 1
Onchocerca volvulus 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0581 0.8628 0.8628
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0146 0.1146 0.1146
Onchocerca volvulus 0.0234 0.2652 0.2652
Loa Loa (eye worm) PAN domain-containing protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) TK/ROR protein kinase 0.0261 0.3128 0.3128
Onchocerca volvulus 0.0094 0.0244 0.0244
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) PAN domain-containing protein 0.0094 0.0244 0.0244
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) PAN domain-containing protein 0.0094 0.0244 0.0244
Brugia malayi Protein kinase domain containing protein 0.0261 0.3128 0.3128
Echinococcus multilocularis muscleblind protein 1 0.0146 0.1146 0.3665
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Loa Loa (eye worm) PAN domain-containing protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Trichomonas vaginalis set domain proteins, putative 0.0234 0.2652 0.5
Echinococcus multilocularis tissue type plasminogen activator 0.0261 0.3128 1
Leishmania major hypothetical protein, conserved 0.0261 0.3128 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.066 1 1
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2163 0.2163
Echinococcus granulosus muscleblind protein 0.0146 0.1146 0.3665
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.066 1 1
Onchocerca volvulus 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0146 0.1146 0.1146
Onchocerca volvulus 0.0094 0.0244 0.0244
Plasmodium falciparum cysteine repeat modular protein 1 0.0261 0.3128 0.5
Brugia malayi follicle stimulating hormone receptor 0.0232 0.2631 0.2631
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0261 0.3128 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Loa Loa (eye worm) hypothetical protein 0.0261 0.3128 0.3128
Loa Loa (eye worm) hypothetical protein 0.0094 0.0244 0.0244
Brugia malayi Muscleblind-like protein 0.0146 0.1146 0.1146
Brugia malayi Kringle domain containing protein 0.0261 0.3128 0.3128
Mycobacterium ulcerans hypothetical protein 0.008 0 0.5
Onchocerca volvulus 0.0261 0.3128 0.3128
Brugia malayi Pre-SET motif family protein 0.0205 0.2163 0.2163
Echinococcus multilocularis muscleblind protein 0.0146 0.1146 0.3665
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Trypanosoma cruzi hypothetical protein, conserved 0.0261 0.3128 0.5
Schistosoma mansoni hypothetical protein 0.0261 0.3128 0.3128
Echinococcus granulosus tissue type plasminogen activator 0.0261 0.3128 1
Loa Loa (eye worm) hypothetical protein 0.066 1 1
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244
Onchocerca volvulus 0.0094 0.0244 0.0244
Brugia malayi PAN domain containing protein 0.0094 0.0244 0.0244

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 23 nM Displacement of [3H]CP-55940 from human recombinant CB2 receptor ChEMBL. 19143566
Ki (binding) = 5055 nM Displacement of [3H]CP-55940 from human recombinant CB1 receptor ChEMBL. 19143566

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.