Compound Detail
CHEMBL4462132
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Basic Information
| ChEMBL ID | CHEMBL4462132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWXCXIZQXBYLCG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
4.19
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cannabinoid receptor 1 CHEMBL218 | IC50 | 7.46 | 6.66 | 35.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cannabinoid receptor 1 | IC50 | = | 35.0 | nM | 7.46 | Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of... | 30613319 |
| Cannabinoid receptor 1 | IC50 | = | 1381.0 | nM | 5.86 | Allosteric modulation of CB1 receptor (unknown origin) assessed as inhibition of... | 30613319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30613319 | 10.1021/acsmedchemlett.8b00575 | Cannabinoid receptor 1 | 3 |
Data from ChEMBL 36 via Core Engine