Compound Detail
CHEMBL1203961
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Basic Information
| ChEMBL ID | CHEMBL1203961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMGYPKGUPADDSX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL270910 |
| Active Moiety | CHEMBL270910 |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.15
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.57
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.57 | 7.57 | 26.9 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.64 | 6.64 | 227.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 26.92 | nM | 7.57 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | Ki | = | 27.0 | nM | 7.57 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 18311894 |
| Cannabinoid receptor 2 | EC50 | = | 227.0 | nM | 6.64 | Agonist activity at human recombinant CB2 receptor expressed in HEK cells assess... | 18311894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 2 | 4 |
| 18311894 | 10.1021/jm7011613 | Cannabinoid receptor 1 | 2 |
| 18311894 | 10.1021/jm7011613 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine