Detailed information for compound 935272

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 422.95 | Formula: C24H27ClN4O
  • H donors: 2 H acceptors: 2 LogP: 5.95 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(c1cccc(n1)c1cccc(c1)NC(=O)Nc1ccc(cc1)Cl)CCC
  • InChi: 1S/C24H27ClN4O/c1-3-15-29(16-4-2)23-10-6-9-22(28-23)18-7-5-8-21(17-18)27-24(30)26-20-13-11-19(25)12-14-20/h5-14,17H,3-4,15-16H2,1-2H3,(H2,26,27,30)
  • InChiKey: MVWUOFXAHWXDOG-UHFFFAOYSA-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

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
Onchocerca volvulus 0.0105 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0105 0 0.5
Brugia malayi Common central domain of tyrosinase family protein 0.0105 0 0.5
Loa Loa (eye worm) tyrosinase 1 0.0105 0 0.5
Onchocerca volvulus 0.0105 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0105 0 0.5
Onchocerca volvulus 0.0105 0 0.5
Echinococcus granulosus geminin 0.0193 0.2244 0.5
Brugia malayi ShTK domain containing protein 0.0105 0 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0105 0 0.5
Echinococcus multilocularis geminin 0.0193 0.2244 0.5
Schistosoma mansoni tyrosinase precursor 0.0497 1 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0105 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0105 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0105 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0105 0 0.5
Onchocerca volvulus 0.0105 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 29 % Agonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as calcium mobilization at 10000 nM after 15 mins by FLIPR assay relative to CP55,940 ChEMBL. 25162172
IC50 (functional) = 372 nM Antagonist activity at human CB1 receptor stably expressed in RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization after 15 mins by FLIPR assay ChEMBL. 25162172
Inhibition (functional) < 35 % Antagonist activity at human CB2 receptor stably expressed in CHO-RD-HGA16 cells assessed as inhibition of CP55,940-induced calcium mobilization at 10000 nM after 15 mins by FLIPR assay ChEMBL. 25162172

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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