Compound Detail
CHEMBL385508
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Basic Information
| ChEMBL ID | CHEMBL385508 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNHUMMLUSHLSRT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
1.71
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen | 17004710 |
| Cannabinoid receptor 2 | Ki | = | 50.0 | nM | 7.3 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 1 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor 2 | 2 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor 1 | 1 |
| 17004710 | 10.1021/jm0603466 | Cannabinoid receptor | 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 |
Data from ChEMBL 36 via Core Engine