Compound Detail
CHEMBL599882
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Basic Information
| ChEMBL ID | CHEMBL599882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCKSZHZUOCEJKF-UHFFFAOYSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
4.44
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.8
EC50 1 meas. best 8.8
Kd 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.8 | 8.8 | 1.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.8 | 8.8 | 1.6 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Kd | 8.3 | 8.3 | 5.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.38 | 5.38 | 4152.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 1.585 | nM | 8.8 | Antagonist activity at human CB2 receptor assessed as inhibition of forskolin-st... | 20031412 |
| Cannabinoid receptor 2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cells | 20031412 |
| Cannabinoid receptor 2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]CP 55940 from human CB2 receptor in cell free system | 21183257 |
| Cannabinoid receptor 2 | Kd | = | 5.012 | nM | 8.3 | Antagonist activity at human CB2 receptor assessed as inhibition of forskolin-st... | 20031412 |
| Cannabinoid receptor 1 | Ki | = | 4152.0 | nM | 5.38 | Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cells | 20031412 |
| Cannabinoid receptor 1 | Ki | = | 4152.0 | nM | 5.38 | Displacement of [3H]CP 55940 from human CB1 receptor in cell free system | 21183257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20031412 | 10.1016/j.bmcl.2009.12.032 | Cannabinoid receptor 2 | 3 |
| 20031412 | 10.1016/j.bmcl.2009.12.032 | Cannabinoid receptor 1 | 1 |
| 20031412 | 10.1016/j.bmcl.2009.12.032 | Unchecked | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 1 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Cannabinoid receptor 2 | 1 |
| 21183257 | 10.1016/j.ejmech.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine