Compound Detail
CHEMBL1765681
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Basic Information
| ChEMBL ID | CHEMBL1765681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIYUDJTUIZEVQD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
5.32
ALogP
5
HBA
1
HBD
79.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| Translocator protein CHEMBL4552 | Ki | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 500.0 | nM | 6.3 | Displacement of [3H]CP55940 from CB1 receptor | 21428406 |
| Translocator protein | Ki | = | 2800.0 | nM | 5.55 | Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes | 21428406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428406 | 10.1021/jm2000536 | Unchecked | 1 |
| 21428406 | 10.1021/jm2000536 | Cannabinoid receptor 1 | 1 |
| 21428406 | 10.1021/jm2000536 | Translocator protein | 1 |
| 21428406 | 10.1021/jm2000536 | Cannabinoid receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine