Compound Detail
CHEMBL2181550
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Basic Information
| ChEMBL ID | CHEMBL2181550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMMFFKBTDPPMMY-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
3.40
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Ki 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 4.68 | 4.68 | 21100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | IC50 | = | 10000.0 | nM | 5.0 | Antagonist activity at human GPR55 transfected in CHO cells assessed as inhibiti... | 23679955 |
| Cannabinoid receptor 1 | Ki | = | 21100.0 | nM | 4.68 | Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells afte... | 22916707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 2 | 3 |
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 3 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine