Compound Detail
CHEMBL231464
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CCCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCCCC1
Basic Information
| ChEMBL ID | CHEMBL231464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABRGNAABLFFAJV-DNQXCXABSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.7
MW (Da)
8.57
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.87 | 7.87 | 13.6 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.84 | 6.84 | 143.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 13.6 | nM | 7.87 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomal membran... | 17672444 |
| Cannabinoid receptor 2 | Ki | = | 143.3 | nM | 6.84 | Displacement of [3H]CP-55940 from CB2 receptor in mouse spleen membrane | 17672444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17672444 | 10.1021/jm070121a | Cannabinoid receptor 1 | 1 |
| 17672444 | 10.1021/jm070121a | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine