Compound Detail
CHEMBL203924
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Basic Information
| ChEMBL ID | CHEMBL203924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCSUDWWHMBOALW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
442.9
MW (Da)
4.73
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Ki 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.03 | 8.03 | 9.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 5.012 | nM | 8.3 | Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO ce... | 16539390 |
| Cannabinoid receptor 2 | Ki | = | 9.37 | nM | 8.03 | Displacement of [3H]CP-55940 from CB2 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