Compound Detail
CHEMBL389118
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CCCC/C=C\C1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CC=C(C)C[C@@H]32)CCC1
Basic Information
| ChEMBL ID | CHEMBL389118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNIMNSRMCXZDTC-RLXGWWSRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.6
MW (Da)
7.17
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 9.03 | 9.03 | 0.9 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.93 | nM | 9.03 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain synaptosomal membran... | 17672444 |
| Cannabinoid receptor 2 | Ki | = | 1.2 | nM | 8.92 | 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