Compound Detail
CHEMBL204433
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Basic Information
| ChEMBL ID | CHEMBL204433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWGCCNJTWRSFKV-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
422.5
MW (Da)
4.47
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.99
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.99 | 7.99 | 10.3 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.49 | 6.49 | 323.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO ce... | 16539390 |
| Cannabinoid receptor 2 | Ki | = | 10.32 | nM | 7.99 | Displacement of [3H]CP-55940 from CB2 receptor | 20189815 |
| Cannabinoid receptor 1 | Ki | = | 323.0 | nM | 6.49 | Displacement of [3H]CP-55940 from CB1 receptor | 20189815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539390 | 10.1021/jm050879z | Cannabinoid receptor 2 | 2 |
| 16539390 | 10.1021/jm050879z | Cannabinoid receptor 1 | 2 |
| 20189815 | 10.1016/j.bmc.2010.02.011 | Cannabinoid receptor 1 | 2 |
| 20189815 | 10.1016/j.bmc.2010.02.011 | Cannabinoid receptor 2 | 2 |
| 20189815 | 10.1016/j.bmc.2010.02.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine