Compound Detail
CHEMBL1259038
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Basic Information
| ChEMBL ID | CHEMBL1259038 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEZFJNWWAFCVCB-NHCUHLMSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
7.17
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]CP55940 from mouse spleen CB2 receptor | 20925434 |
| Cannabinoid receptor 2 | Ki | = | 3.02 | nM | 8.52 | Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cells | 20925434 |
| Cannabinoid receptor 1 | Ki | = | 4.96 | nM | 8.3 | Displacement of [3H]CP55940 from rat brain CB1 receptor | 20925434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20925434 | 10.1021/jm100641g | Cannabinoid receptor 2 | 2 |
| 20925434 | 10.1021/jm100641g | Cannabinoid receptor 1 | 1 |
| 20925434 | 10.1021/jm100641g | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine