Compound Detail
CHEMBL181331
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Basic Information
| ChEMBL ID | CHEMBL181331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KRZVOZRFWPFNCT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.8
MW (Da)
4.69
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 6.77 | 6.77 | 169.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory concentration against human recombinant cannabinoid receptor type 1 e... | 15713403 |
| Cannabinoid receptor 1 | IC50 | = | 169.82 | nM | 6.77 | Antagonist activity against human recombinant cannabinoid-1 receptor | 19406638 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713403 | 10.1016/j.bmcl.2004.12.078 | Cannabinoid receptor 1 | 1 |
| 19406638 | 10.1016/j.bmcl.2009.04.037 | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine