Compound Detail
CHEMBL279147
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Basic Information
| ChEMBL ID | CHEMBL279147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYCLMAJRHLLHNO-RTBURBONSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
5.93
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 9.19 | 9.19 | 0.7 | 2 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.51 | 8.51 | 3.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 0.65 | nM | 9.19 | The compound was evaluated for its affinity towards cannabinoid receptor 1 (CB1)... | 9544219 |
| Cannabinoid receptor 1 | Ki | = | 0.65 | nM | 9.19 | Displacement of [3H]CP-55940 from rat brain CB1 receptor | 16387492 |
| Cannabinoid receptor 2 | Ki | = | 3.1 | nM | 8.51 | The compound was evaluated for its affinity towards cannabinoid receptor 2 (CB2)... | 9544219 |
| Cannabinoid receptor 2 | Ki | = | 3.1 | nM | 8.51 | Displacement of [3H]CP-55940 from mouse spleen CB2 receptor | 16387492 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17257842 | 10.1016/j.bmcl.2007.01.006 | Mus musculus | 3 |
| 9544219 | 10.1021/jm970277i | Cannabinoid receptor 1 | 1 |
| 9544219 | 10.1021/jm970277i | Cannabinoid receptor 2 | 1 |
| 16387492 | 10.1016/j.bmcl.2005.12.026 | Cannabinoid receptor 1 | 1 |
| 16387492 | 10.1016/j.bmcl.2005.12.026 | Unchecked | 1 |
| 16387492 | 10.1016/j.bmcl.2005.12.026 | Cannabinoid receptor 2 | 1 |
| 17257842 | 10.1016/j.bmcl.2007.01.006 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine