Compound Detail
CHEMBL2177256
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Basic Information
| ChEMBL ID | CHEMBL2177256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBDUOBWGVBKAJS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
5.13
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | Ki | 5.75 | 5.75 | 1760.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.66 | 5.66 | 2170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1760.0 | nM | 5.75 | Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells afte... | 22916707 |
| Cannabinoid receptor 1 | Ki | = | 2170.0 | nM | 5.66 | Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells afte... | 22916707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23679955 | 10.1021/jm4005175 | G-protein coupled receptor 55 | 3 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 2 | 2 |
| 22916707 | 10.1021/jm3008213 | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine