Detailed information for compound 234366

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.466 | Formula: C20H31NO2
  • H donors: 0 H acceptors: 0 LogP: 3.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1(CCC2(CC1)OCCO2)c1ccc(cc1)C(C)(C)C)C
  • InChi: 1S/C20H31NO2/c1-18(2,3)16-6-8-17(9-7-16)19(21(4)5)10-12-20(13-11-19)22-14-15-23-20/h6-9H,10-15H2,1-5H3
  • InChiKey: UARXLHMVTONYAJ-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 nicotinic acetylcholine receptor subunit alpha 8 0.0187 1 1
Schistosoma mansoni integrin alpha 0.0158 0.7358 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0187 1 1
Echinococcus granulosus serotonin transporter 0.0141 0.5765 0.5765
Brugia malayi Integrin alpha pat-2 precursor 0.0158 0.7358 0.7358
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0187 1 1
Echinococcus granulosus integrin alpha 3 0.0121 0.3996 0.3996
Loa Loa (eye worm) hypothetical protein 0.0141 0.5765 0.5765
Loa Loa (eye worm) hypothetical protein 0.0141 0.5765 0.5765
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0187 1 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0141 0.5765 0.5
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0187 1 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0141 0.5765 0.5765
Schistosoma mansoni sodium/chloride dependent transporter 0.0141 0.5765 0.7835
Loa Loa (eye worm) hypothetical protein 0.0187 1 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.5765 0.5765
Loa Loa (eye worm) integrin alpha pat-2 0.0158 0.7358 0.7358
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0141 0.5765 0.5765
Echinococcus multilocularis serotonin transporter 0.0141 0.5765 0.5765
Onchocerca volvulus 0.0141 0.5765 0.5765
Loa Loa (eye worm) hypothetical protein 0.0087 0.0901 0.0901
Loa Loa (eye worm) norepinephrine transporter 0.0141 0.5765 0.5765
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0187 1 1
Echinococcus multilocularis integrin alpha 3 0.0121 0.3996 0.3996
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0141 0.5765 0.7835
Loa Loa (eye worm) hypothetical protein 0.0124 0.4263 0.4263
Onchocerca volvulus Putative nachr subunit 0.0187 1 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0187 1 1
Loa Loa (eye worm) serotonin transporter b 0.0141 0.5765 0.5765

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 100 mg kg-1 Tested for analgesic activity using tail flick assay in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for analgesic activity using tail pinch assay in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for sedation using inclined screen test in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for analgesic activity using HCl writhe assay in mice in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for narcotic antagonistic property using tail-flick procedure in mice after giving subcutaneous dose of 6.3 mg/kg of morphine sulphate ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for analgesic activity using tail flick assay in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for analgesic activity using tail pinch assay in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for sedation using inclined screen test in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for analgesic activity using HCl writhe assay in mice in mice ChEMBL. 7381841
ED50 (functional) > 100 mg kg-1 Tested for narcotic antagonistic property using tail-flick procedure in mice after giving subcutaneous dose of 6.3 mg/kg of morphine sulphate ChEMBL. 7381841

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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