Compound Detail
CHEMBL576706
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Basic Information
| ChEMBL ID | CHEMBL576706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLRZCGZOXGSCNM-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
4.28
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.68
Ki 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.68 | 8.39 | 2.1 | 2 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.66 | 8.66 | 2.2 | 2 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 8.36 | 8.36 | 4.4 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 5.73 | 5.73 | 1881.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 5.68 | 5.68 | 2077.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | EC50 | = | 2.1 | nM | 8.68 | Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells ass... | 19921781 |
| Cannabinoid receptor 2 | Ki | = | 2.2 | nM | 8.66 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19921781 |
| Cannabinoid receptor 2 | Ki | = | 2.188 | nM | 8.66 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE... | 19921781 |
| Cannabinoid receptor 2 | EC50 | = | 4.4 | nM | 8.36 | Agonist activity at rat CB2 receptor assessed as inhibition of forskolin-induced... | 19921781 |
| Cannabinoid receptor 2 | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at human recombinant CB2 receptor expressed in HEK293 cells coe... | 19921781 |
| Cannabinoid receptor 1 | EC50 | = | 1881.0 | nM | 5.73 | Agonist activity at human recombinant CB1 receptor expressed in CHO cells assess... | 19921781 |
| Cannabinoid receptor 1 | EC50 | = | 2077.0 | nM | 5.68 | Agonist activity at rat CB1 receptor assessed as inhibition of forskolin-induced... | 19921781 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19921781 | 10.1021/jm901214q | Cannabinoid receptor 2 | 8 |
| 19921781 | 10.1021/jm901214q | Cannabinoid receptor 1 | 6 |
| 19921781 | 10.1021/jm901214q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine