Compound Detail
CHEMBL229801
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL229801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBWLSJCDKBFFDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
5.26
ALogP
4
HBA
1
HBD
56.1
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | Ki | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]CP-559440 from human CB1 receptor expressed in HEK293 cells | 17383180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17383180 | 10.1016/j.bmcl.2007.03.011 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine