Compound Detail
CHEMBL462593
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Basic Information
| ChEMBL ID | CHEMBL462593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPFKKKXJXMTOMR-OGKKXEKVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
6.60
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 7.52 | 7.52 | 30.4 | 1 |
| Cannabinoid receptor 2 CHEMBL5373 | Ki | 6.01 | 6.01 | 987.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 30.4 | nM | 7.52 | Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain membrane... | 18723350 |
| Cannabinoid receptor 2 | Ki | = | 987.3 | nM | 6.01 | Displacement of [3H]CP-55940 from cannabinoid CB2 receptor in mouse spleen membr... | 18723350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18723350 | 10.1016/j.bmcl.2008.07.110 | Cannabinoid receptor 1 | 1 |
| 18723350 | 10.1016/j.bmcl.2008.07.110 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine