Compound Detail
CHEMBL470199
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Basic Information
| ChEMBL ID | CHEMBL470199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOPKGUPAQXHRKK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.70
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Ki 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.46 | 5.46 | 3460.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.17 | 5.17 | 6740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 3460.0 | nM | 5.46 | Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical... | 19278853 |
| G-protein coupled receptor 55 | IC50 | = | 6740.0 | nM | 5.17 | 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 |
| 19278853 | 10.1016/j.bmc.2009.02.027 | Cannabinoid receptor 2 | 2 |
| 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 |
Data from ChEMBL 36 via Core Engine