Compound Detail
CHEMBL77520
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Basic Information
| ChEMBL ID | CHEMBL77520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNZFFALZMRAPHQ-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
376.6
MW (Da)
5.66
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.85
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | EC50 | 9.85 | 9.85 | 0.1 | 1 |
| Cannabinoid receptor 2 CHEMBL2470 | EC50 | 8.95 | 8.95 | 1.1 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 8.19 | 8.19 | 6.5 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | EC50 | = | 0.14 | nM | 9.85 | cAMP Activation Assay: The compound of Example 3 was tested for agonist activity... | - |
| Cannabinoid receptor 2 | EC50 | = | 1.13 | nM | 8.95 | cAMP Activation Assay: The compound of Example 3 was tested for agonist activity... | - |
| Cannabinoid receptor 2 | Ki | = | 1.8 | nM | 8.74 | Binding Assay: Cell membrane homogenates (15 μg protein) were incubated for 120 ... | - |
| Cannabinoid receptor 1 | Ki | = | 3.4 | nM | 8.47 | Binding Assay: Cell membrane homogenates (25 μg protein) were incubated for 120 ... | - |
| Cannabinoid receptor 2 | EC50 | = | 6.5 | nM | 8.19 | GTPγ[35S] Functional Assay: Functional activity was evaluated using GTPγ[35S] as... | - |
| Cannabinoid receptor 1 | EC50 | = | 9.0 | nM | 8.05 | GTPγ[35S] Functional Assay: Functional activity was evaluated using GTPγ[35S] as... | - |
Data from ChEMBL 36 via Core Engine