Compound Detail
CHEMBL121316
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Basic Information
| ChEMBL ID | CHEMBL121316 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWQCBVWCBTUPDQ-HZJYTTRNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.6
MW (Da)
5.69
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL3571 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | Ki | = | 1500.0 | nM | 5.82 | In vitro binding affinity was determined against rat brain Cannabinoid receptor ... | 9057852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12166938 | 10.1021/jm0200761 | Cannabinoid receptor 1 | 1 |
| 9057852 | 10.1021/jm960752x | Cannabinoid receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine