Compound Detail
CHEMBL571777
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Basic Information
| ChEMBL ID | CHEMBL571777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAWVBHWINVNAPL-AWEZNQCLSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
4.69
ALogP
3
HBA
0
HBD
31.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.48
EC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.48 | 8.48 | 3.3 | 3 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.67 | 6.6633 | 213.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 3.3 | nM | 8.48 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19921781 |
| Cannabinoid receptor 2 | Ki | = | 3.311 | nM | 8.48 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19921781 |
| Cannabinoid receptor 2 | Ki | = | 3.3 | nM | 8.48 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | EC50 | = | 14.0 | nM | 7.85 | Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coe... | 19921781 |
| Cannabinoid receptor 1 | Ki | = | 213.8 | nM | 6.67 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CH... | 19921781 |
| Cannabinoid receptor 1 | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CH... | 19921781 |
| Cannabinoid receptor 1 | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19921781 | 10.1021/jm901214q | Cannabinoid receptor 2 | 4 |
| 19921781 | 10.1021/jm901214q | Cannabinoid receptor 1 | 2 |
| 19921781 | 10.1021/jm901214q | Unchecked | 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