Compound Detail
CHEMBL2177253
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Basic Information
| ChEMBL ID | CHEMBL2177253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZCPYJQKQLUBAD-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
5.43
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.66
EC50 1 meas. best 6.67
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.66 | 7.66 | 22.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | EC50 | 6.67 | 6.67 | 213.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.39 | 6.39 | 405.0 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.29 | 5.29 | 5080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 22.0 | nM | 7.66 | Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells afte... | 22916707 |
| Cannabinoid receptor 2 | EC50 | = | 213.0 | nM | 6.67 | Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibi... | 22916707 |
| Cannabinoid receptor 2 | Ki | = | 405.0 | nM | 6.39 | Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells afte... | 22916707 |
| G-protein coupled receptor 55 | IC50 | = | 5080.0 | nM | 5.29 | Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti... | 23679955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 2 | 3 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 1 | 2 |
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 2 |
| 23679955 | 10.1021/jm4005175 | N-arachidonyl glycine receptor | 2 |
| 22916707 | 10.1021/jm3008213 | Unchecked | 1 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 1 | 1 |
| 23679955 | 10.1021/jm4005175 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine