Compound Detail
CHEMBL381313
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Basic Information
| ChEMBL ID | CHEMBL381313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFZJMRPQOQJFGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
4.43
ALogP
7
HBA
2
HBD
99.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | IC50 | = | 19.95 | nM | 7.7 | Inhibition of [35S]GTP-gamma-S binding to human CB2 receptor expressed in CHO ce... | 16539390 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539390 | 10.1021/jm050879z | Cannabinoid receptor 2 | 2 |
| 16539390 | 10.1021/jm050879z | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine