Compound Detail
CHEMBL2179771
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Basic Information
| ChEMBL ID | CHEMBL2179771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBCZXHSQAKQJEQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
4.25
ALogP
3
HBA
2
HBD
61.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.19
EC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.24 | 8.24 | 5.7 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 7.19 | 7.19 | 64.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 5.73 | nM | 8.24 | Inverse agonist activity at human CB2 receptor expressed in CHO cells assessed a... | 23072339 |
| Cannabinoid receptor 2 | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incub... | 23072339 |
| Cannabinoid receptor 2 | Ki | = | 64.0 | nM | 7.19 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incub... | 23072339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23072339 | 10.1021/jm301212u | Bone marrow cell | 4 |
| 23072339 | 10.1021/jm301212u | Cannabinoid receptor 2 | 3 |
| 23072339 | 10.1021/jm301212u | PBMC | 1 |
| 23072339 | 10.1021/jm301212u | Unchecked | 1 |
| 23072339 | 10.1021/jm301212u | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine