Compound Detail
CHEMBL1215942
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CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(-c3ccco3)ccc21
Basic Information
| ChEMBL ID | CHEMBL1215942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAVXSEZBTVKAOG-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
6.15
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 9.15 | 9.15 | 0.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells | 20718492 |
| Cannabinoid receptor 2 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in... | 22548457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20718492 | 10.1021/jm100123x | Cannabinoid receptor 2 | 4 |
| 20718492 | 10.1021/jm100123x | Cannabinoid receptor 1 | 1 |
| 20718492 | 10.1021/jm100123x | Unchecked | 1 |
| 20718492 | 10.1021/jm100123x | Mus musculus | 1 |
| 20718492 | 10.1021/jm100123x | Cytochrome P450 3A4 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
| 22548457 | 10.1021/jm3003334 | Cannabinoid receptor 1 | 1 |
| 22548457 | 10.1021/jm3003334 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine