Compound Detail
CHEMBL3120203
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Basic Information
| ChEMBL ID | CHEMBL3120203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CITYMLNAFHCPNA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
3.91
ALogP
6
HBA
1
HBD
78.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | IC50 | 5.39 | 5.39 | 4090.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 1840.0 | nM | 5.74 | Antagonist activity at human CB1 receptor stably expressed in CHO cells co-expre... | 24445310 |
| Cannabinoid receptor 2 | IC50 | = | 4090.0 | nM | 5.39 | Antagonist activity at CB2 receptor (unknown origin) stably expressed in CHO cel... | 24445310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24445310 | 10.1016/j.ejmech.2013.12.018 | Cannabinoid receptor 2 | 2 |
| 24445310 | 10.1016/j.ejmech.2013.12.018 | Cannabinoid receptor 1 | 2 |
Data from ChEMBL 36 via Core Engine