Compound Detail
CHEMBL512643
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Basic Information
| ChEMBL ID | CHEMBL512643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPCKKOFQIAJKMZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.8
MW (Da)
4.93
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.11 | 6.11 | 776.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 776.25 | nM | 6.11 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19406638 | 10.1016/j.bmcl.2009.04.037 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine