Compound Detail
CHEMBL470224
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Basic Information
| ChEMBL ID | CHEMBL470224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFSLDHWSUPFZPK-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
4.82
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.56
IC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.56 | 5.56 | 2760.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.37 | 5.37 | 4270.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.27 | 5.27 | 5330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 2760.0 | nM | 5.56 | Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical... | 19278853 |
| Cannabinoid receptor 2 | Ki | = | 4270.0 | nM | 5.37 | Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor exp... | 19278853 |
| G-protein coupled receptor 55 | IC50 | = | 5330.0 | nM | 5.27 | Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti... | 23679955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19278853 | 10.1016/j.bmc.2009.02.027 | Cannabinoid receptor 1 | 3 |
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 2 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 2 | 2 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 1 | 2 |
| 23679955 | 10.1021/jm4005175 | N-arachidonyl glycine receptor | 2 |
| 19278853 | 10.1016/j.bmc.2009.02.027 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine