Compound Detail
CHEMBL149599
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Basic Information
| ChEMBL ID | CHEMBL149599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVYHROZUQPHJKX-DIBXZPPDSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
5.89
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.33 | 6.33 | 466.0 | 1 |
| Cannabinoid receptor 2 CHEMBL253 | Ki | 6.18 | 6.18 | 658.0 | 1 |
| Cannabinoid receptor 1 CHEMBL218 | Ki | 5.71 | 5.685 | 1945.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 466.0 | nM | 6.33 | Displacement of [3H]-WIN55212-2 from HEK293 cell membrane lacking CB1R and CB2R ... | 36708677 |
| Cannabinoid receptor 2 | Ki | = | 658.0 | nM | 6.18 | Compound was evaluated for its binding affinity against Cannabinoid receptor 2 i... | 9857088 |
| Cannabinoid receptor 1 | Ki | = | 1945.0 | nM | 5.71 | Compound was evaluated for its binding affinity against Cannabinoid receptor 1 i... | 9857088 |
| Cannabinoid receptor 1 | Ki | = | 2178.0 | nM | 5.66 | Compound was evaluated for its binding affinity against Cannabinoid receptor 1 i... | 9857088 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857088 | 10.1021/jm9801197 | Cannabinoid receptor 1 | 2 |
| 36708677 | 10.1016/j.ejmech.2023.115123 | Unchecked | 2 |
| 9857088 | 10.1021/jm9801197 | Cannabinoid receptor 2 | 1 |
| 9857088 | 10.1021/jm9801197 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine