Compound Detail
CHEMBL2181549
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Basic Information
| ChEMBL ID | CHEMBL2181549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPJIGZWNPQFFEE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
308.4
MW (Da)
4.52
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Kd 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 1770.0 | nM | 5.75 | 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 | 3 |
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 3 |
| 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