Compound Detail
CHEMBL385964
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Basic Information
| ChEMBL ID | CHEMBL385964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPWPIJMSCDUAAC-SDNWHVSQSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
446.8
MW (Da)
7.26
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.67 | 6.6367 | 213.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 213.0 | nM | 6.67 | Displacement of [3H]SR-141716 from human CB1 receptor expressed in HEK293 cells | 17004712 |
| Cannabinoid receptor 1 | Ki | = | 223.0 | nM | 6.65 | Displacement of [3H]WIN-55212-2 from human CB1 receptor expressed in HEK293 cell... | 17004712 |
| Cannabinoid receptor 1 | Ki | = | 258.0 | nM | 6.59 | Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells | 17004712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004712 | 10.1021/jm060446b | Cannabinoid receptor 1 | 7 |
Data from ChEMBL 36 via Core Engine